[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

HCID 68538245

Basic information

Standard SMILES: CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3c2)CC1
InChIKey: CTQILHUFHABXJX-UHFFFAOYSA-N
Molecular formula: C22H31N5O4S
Average molar mass: 461.6 g/mol

Preferred name: [5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone
IUPAC: [2-(4-methylsulfonylpiperazine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

SCHEMBL3174972CTQILHUFHABXJX-UHFFFAOYSA-N[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

27 records

HRID 97827As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110390As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 171912As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 677573As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 816721As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 818243As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 936071As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1116712As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

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