ethyl 2-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(2-methyl-N-tosyl-anilino)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H30N2O5S/c1-4-34-27(31)24(18-22-11-6-5-7-12-22)28-26(30)19-29(25-13-9-8-10-21(25)3)35(32,33)23-16-14-20(2)15-17-23/h5-17,24H,4,18-19H2,1-3H3,(H,28,30)