[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H25N3O7S/c1-14-4-5-16(12-15(14)2)23-21(27)24-19(25)13-31-20(26)10-11-22-32(28,29)18-8-6-17(30-3)7-9-18/h4-9,12,22H,10-11,13H2,1-3H3,(H2,23,24,25,27)