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

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-(3-phenylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(3-phenylpropylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-(3-phenylpropylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(3-phenylpropylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(3-phenylpropylamino)benzenesulfonamide Formula: C26H39N4O3S+ MolecularWeight: 487.67786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCCC2=CC=CC=C2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCCCC2=CC=CC=C2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C26H38N4O3S/c1-26(2,3)28-34(32,33)24-19-22(25(31)30-15-9-14-29(4)16-17-30)18-23(20-24)27-13-8-12-21-10-6-5-7-11-21/h5-7,10-11,18-20,27-28H,8-9,12-17H2,1-4H3/p+1