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

Systemtic Name: methyl (3S)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-phenyl-3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (3S)-3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-phenyl-3-[(1-tosylisonipecotoyl)amino]propionic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17-8-10-20(11-9-17)31(28,29)25-14-12-19(13-15-25)23(27)24-21(16-22(26)30-2)18-6-4-3-5-7-18/h3-11,19,21H,12-16H2,1-2H3,(H,24,27)/t21-/m0/s1