5-(azepan-1-ylsulfonyl)-1-ethanoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-ethanoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide Openeye Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]indoline-2-carboxamide CAS Name: 1-acetyl-5-(1-azepanylsulfonyl)-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide IUPAC Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide Traditional Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-(4-ethylbenzyl)indoline-2-carboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-3-20-8-10-21(11-9-20)18-27-26(31)25-17-22-16-23(12-13-24(22)29(25)19(2)30)34(32,33)28-14-6-4-5-7-15-28/h8-13,16,25H,3-7,14-15,17-18H2,1-2H3,(H,27,31)