methyl (2S)-2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-23(29(26,27)17-10-8-16(13-21)9-11-17)14-19(24)22-18(20(25)28-2)12-15-6-4-3-5-7-15/h3-11,18H,12,14H2,1-2H3,(H,22,24)/t18-/m0/s1