N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-[(phenylmethyl)amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 3-(benzylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-5-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 3-(benzylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Traditional Name: 3-(benzylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CC=C2)C(=O)N3CCCN(CC3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CC=C2)C(=O)N3CCCN(CC3)C

InChI

InChI=1S/C24H34N4O3S/c1-24(2,3)26-32(30,31)22-16-20(23(29)28-12-8-11-27(4)13-14-28)15-21(17-22)25-18-19-9-6-5-7-10-19/h5-7,9-10,15-17,25-26H,8,11-14,18H2,1-4H3