[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-5-12-22-20(24)16(4)28-21(25)17-8-10-18(11-9-17)23-29(26,27)19-13-14(2)6-7-15(19)3/h5-11,13,16,23H,1,12H2,2-4H3,(H,22,24)