methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C21H24N2O7S/c1-28-18-8-7-17(14-19(18)29-2)31(26,27)23-11-9-22(10-12-23)20(24)15-5-4-6-16(13-15)21(25)30-3/h4-8,13-14H,9-12H2,1-3H3