ethyl 4-[[(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3-chloro-4-methoxy-phenyl)sulfonylnipecotoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O6S/c1-3-31-22(27)15-6-8-17(9-7-15)24-21(26)16-5-4-12-25(14-16)32(28,29)18-10-11-20(30-2)19(23)13-18/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,24,26)/t16-/m0/s1