methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-3-4-16(21(26)29-2)13-19(14)23-20(25)15-9-11-24(12-10-15)30(27,28)18-7-5-17(22)6-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)