4-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide

Systemtic Name: 4-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide Openeye Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N-[2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide IUPAC Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide Traditional Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N-[2-(2-thienyl)ethyl]benzenesulfonamide Formula: C25H30N3O3S2+ MolecularWeight: 484.654

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S2/c29-25(28-16-5-15-27(17-18-28)20-21-6-2-1-3-7-21)22-9-11-24(12-10-22)33(30,31)26-14-13-23-8-4-19-32-23/h1-4,6-12,19,26H,5,13-18,20H2/p+1