methyl 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H24N2O5S/c1-15-4-9-19(16(2)14-15)29(26,27)23-12-10-22(11-13-23)20(24)17-5-7-18(8-6-17)21(25)28-3/h4-9,14H,10-13H2,1-3H3