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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-ethanoyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-2-carboxamide Openeye Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-(o-tolylmethyl)indoline-2-carboxamide CAS Name: 1-acetyl-5-(1-azepanylsulfonyl)-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-2-carboxamide IUPAC Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-2-carboxamide Traditional Name: 1-acetyl-5-(azepan-1-ylsulfonyl)-N-(2-methylbenzyl)indoline-2-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-18-9-5-6-10-20(18)17-26-25(30)24-16-21-15-22(11-12-23(21)28(24)19(2)29)33(31,32)27-13-7-3-4-8-14-27/h5-6,9-12,15,24H,3-4,7-8,13-14,16-17H2,1-2H3,(H,26,30)