3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(2-{[(phenylsulfonyl)amino]carbonyl}-2,3-dihydro-1H-isoindol-5-yl)-1H-indole-7-carboxamide

HCID 57732747

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

Related reactions

3 records

Compound notes

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