[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-15(2)21(24-31(28,29)19-12-6-16(3)7-13-19)22(27)30-14-20(26)23-17-8-10-18(11-9-17)25(4)5/h6-13,15,21,24H,14H2,1-5H3,(H,23,26)