methyl 4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(o-tolyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(o-tolyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H22N2O4S/c1-15-5-3-4-6-18(15)20-11-13-21(14-12-20)26(23,24)17-9-7-16(8-10-17)19(22)25-2/h3-10H,11-14H2,1-2H3