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

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-5-(2-methylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-(isobutylamino)-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-5-(2-methylpropylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-5-(2-methylpropylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-(isobutylamino)-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O3S/c1-16(2)15-22-18-12-17(20(26)25-9-7-8-24(6)10-11-25)13-19(14-18)29(27,28)23-21(3,4)5/h12-14,16,22-23H,7-11,15H2,1-6H3