methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C20H24N2O4S/c1-15-7-6-9-18(16(15)2)21-11-13-22(14-12-21)27(24,25)19-10-5-4-8-17(19)20(23)26-3/h4-10H,11-14H2,1-3H3