N-[3-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]propane-1-sulfonamide

Systemtic Name: N-[3-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]propane-1-sulfonamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]propane-1-sulfonamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]propane-1-sulfonamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]propane-1-sulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-16-29(27,28)23-21-11-6-10-20(17-21)22(26)25-13-7-12-24(14-15-25)18-19-8-4-3-5-9-19/h3-6,8-11,17,23H,2,7,12-16,18H2,1H3/p+1