ethyl 4-[[(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylnipecotoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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=C(C=CC(=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-4-31-23(27)17-8-10-19(11-9-17)24-22(26)18-6-5-13-25(15-18)32(28,29)21-14-16(2)7-12-20(21)30-3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,24,26)/t18-/m0/s1