[1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C(=O)NC(=O)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OC(C)C(=O)NC(=O)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C23H27N3O7S/c1-14-9-10-19(11-15(14)2)34(31,32)26-13-18(27)12-20(26)22(29)33-16(3)21(28)25-23(30)24-17-7-5-4-6-8-17/h4-11,16,18,20,27H,12-13H2,1-3H3,(H2,24,25,28,30)/t16?,18?,20-/m0/s1