methyl 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: methyl 2-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzoic acid methyl ester Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-31-25(28)22-14-8-9-15-23(22)32(29,30)27-18-16-26(17-19-27)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3/p+1