ethyl (2R,3S)-3-[(4-dimethylaminophenyl)amino]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2R,3S)-3-[(4-dimethylaminophenyl)amino]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2R,3S)-3-[4-(dimethylamino)anilino]-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3S)-3-[4-(dimethylamino)anilino]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-[4-(dimethylamino)anilino]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R,3S)-3-[4-(dimethylamino)anilino]-3-phenyl-2-(tosylamino)propionic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)NC2=CC=C(C=C2)N(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC2=CC=C(C=C2)N(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31N3O4S/c1-5-33-26(30)25(28-34(31,32)23-17-11-19(2)12-18-23)24(20-9-7-6-8-10-20)27-21-13-15-22(16-14-21)29(3)4/h6-18,24-25,27-28H,5H2,1-4H3/t24-,25+/m0/s1