propyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]benzoic acid propyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-3-15-31-23(27)17-6-8-19(9-7-17)24-22(26)18-5-4-14-25(16-18)32(28,29)21-12-10-20(30-2)11-13-21/h6-13,18H,3-5,14-16H2,1-2H3,(H,24,26)/t18-/m0/s1