N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Openeye Name: N-(4-benzyloxyphenyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Traditional Name: N-(4-benzoxyphenyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-35(32,33)30(25-12-14-26(15-13-25)34-22-24-10-6-3-7-11-24)21-27(31)29-18-16-28(17-19-29)20-23-8-4-2-5-9-23/h2-15H,16-22H2,1H3/p+1