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

Systemtic Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[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(=C3)C(=O)OC)C

Isomeric SMILES

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

InChI

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