N-(4-butylphenyl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-(4-butylphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(4-butylphenyl)-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C23H31N3O3S/c1-3-4-7-19-10-12-21(13-11-19)24-30(28,29)22-9-5-8-20(18-22)23(27)26-15-6-14-25(2)16-17-26/h5,8-13,18,24H,3-4,6-7,14-17H2,1-2H3/p+1