N-cyclopentyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopentyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-cyclopentyl-benzenesulfonamide CAS Name: N-cyclopentyl-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-cyclopentylbenzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-cyclopentyl-benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(26-16-14-25(15-17-26)18-19-6-2-1-3-7-19)20-10-12-22(13-11-20)30(28,29)24-21-8-4-5-9-21/h1-3,6-7,10-13,21,24H,4-5,8-9,14-18H2/p+1