3-methoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 3-methoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]benzenesulfonamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-methoxy-benzenesulfonamide CAS Name: 3-methoxy-N-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)benzyl]-3-methoxy-benzenesulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-24-8-5-9-25(18-24)34(31,32)27-19-21-10-12-23(13-11-21)26(30)29-16-14-28(15-17-29)20-22-6-3-2-4-7-22/h2-13,18,27H,14-17,19-20H2,1H3/p+1