[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6S/c1-15(2)22-21(27)23-19(25)14-30-20(26)17-8-10-18(11-9-17)24-31(28,29)13-12-16-6-4-3-5-7-16/h3-13,15,24H,14H2,1-2H3,(H2,22,23,25,27)/b13-12+