N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-methoxyphenyl)methanesulfonamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-methoxyphenyl)methanesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-34-25-15-9-14-24(20-25)30(35(2,32)33)21-26(31)28-16-18-29(19-17-28)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,27H,16-19,21H2,1-2H3/p+1