[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-11-12-19(14-16(15)2)29(26,27)22-13-7-10-20(24)28-17(3)21(25)23-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,22H,7,10,13H2,1-3H3,(H,23,25)/t17-/m0/s1