[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3O5S/c1-14-5-11-18(12-6-14)29(26,27)22-15(2)20(25)28-13-19(24)21-16-7-9-17(10-8-16)23(3)4/h5-12,15,22H,13H2,1-4H3,(H,21,24)/t15-/m0/s1