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

Systemtic Name: methyl 2-[[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonylnipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-15-10-11-19(29-2)20(13-15)31(27,28)24-12-6-7-16(14-24)21(25)23-18-9-5-4-8-17(18)22(26)30-3/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,23,25)/t16-/m1/s1