methyl (2R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H30N2O5S/c1-17-9-10-21(15-18(17)2)32(29,30)26-13-11-20(12-14-26)23(27)25-22(24(28)31-3)16-19-7-5-4-6-8-19/h4-10,15,20,22H,11-14,16H2,1-3H3,(H,25,27)/t22-/m1/s1