methyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(3S)-1-(4-chlorophenyl)sulfonylnipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O7S/c1-30-19-11-17(22(27)32-3)18(12-20(19)31-2)24-21(26)14-5-4-10-25(13-14)33(28,29)16-8-6-15(23)7-9-16/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,26)/t14-/m0/s1