4-methoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methoxy-N-phenyl-benzenesulfonamide CAS Name: 4-methoxy-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methoxy-N-phenyl-benzenesulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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