Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc5c(c4)CN(C(=O)NS(=O)(=O)c4ccccc4)C5)cc23)CC1- InChIKey
MKVMFWVQFZSRGZ-UHFFFAOYSA-N- Molecular formula
- C31H33N5O6S2
- Average molar mass
- 635.8 g/mol
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(2-{[(phenylsulfonyl)amino]carbonyl}-2,3-dihydro-1H-isoindol-5-yl)-1H-indole-7-carboxamide
- IUPAC
- 5-[2-(benzenesulfonylcarbamoyl)-1,3-dihydroisoindol-5-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL551965MKVMFWVQFZSRGZ-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(2-{[(phenylsulfonyl)amino]carbonyl}-2,3-dihydro-1H-isoindol-5-yl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732747
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
3 records
Compound notes
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