[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25N3O6S/c1-14-9-10-18(11-15(14)2)31(28,29)23-13-19(25)30-16(3)20(26)24-21(27)22-12-17-7-5-4-6-8-17/h4-11,16,23H,12-13H2,1-3H3,(H2,22,24,26,27)