N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-(2-phenylpropylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-(2-phenylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(2-phenylpropylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-5-(2-phenylpropylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(2-phenylpropylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(2-phenylpropylamino)benzenesulfonamide Formula: C26H38N4O3S MolecularWeight: 486.66992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=CC(=C1)C(=O)N2CCCN(CC2)C)S(=O)(=O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(CNC1=CC(=CC(=C1)C(=O)N2CCCN(CC2)C)S(=O)(=O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H38N4O3S/c1-20(21-10-7-6-8-11-21)19-27-23-16-22(25(31)30-13-9-12-29(5)14-15-30)17-24(18-23)34(32,33)28-26(2,3)4/h6-8,10-11,16-18,20,27-28H,9,12-15,19H2,1-5H3