(phenylmethyl) (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: (phenylmethyl) (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: benzyl (3S)-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-(3-pyridinyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propionic acid benzyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(CC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[S@@](=O)N[C@@H](CC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-17-9-11-20(12-10-17)28(26)24-21(19-8-5-13-23-15-19)14-22(25)27-16-18-6-3-2-4-7-18/h2-13,15,21,24H,14,16H2,1H3/t21-,28+/m0/s1