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

Systemtic Name: methyl 2-[4-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(o-tolylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(o-tolylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-15-7-3-5-9-18(15)22-20(24)16-11-13-23(14-12-16)29(26,27)19-10-6-4-8-17(19)21(25)28-2/h3-10,16H,11-14H2,1-2H3,(H,22,24)