methyl (2S)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O5S/c1-31-23(28)21(15-17-5-3-2-4-6-17)25-22(27)19-11-13-26(14-12-19)32(29,30)20-9-7-18(16-24)8-10-20/h2-10,19,21H,11-15H2,1H3,(H,25,27)/t21-/m0/s1