N-tert-butyl-2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-indolin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-indolin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C26H34N4O4S/c1-26(2,3)27-24(31)19-28-13-7-14-29(17-16-28)25(32)21-9-6-10-22(18-21)35(33,34)30-15-12-20-8-4-5-11-23(20)30/h4-6,8-11,18H,7,12-17,19H2,1-3H3,(H,27,31)/p+1