methyl 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C23H25N2O4S2+ MolecularWeight: 457.5856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4S2/c1-29-23(26)22-20(12-17-30-22)31(27,28)25-15-13-24(14-16-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,17,21H,13-16H2,1H3/p+1