methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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