[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C22H30N4O7S/c1-4-9-23-22(30)24-19(27)15-33-21(29)8-7-20(28)25-10-12-26(13-11-25)34(31,32)18-14-16(2)5-6-17(18)3/h4-6,14H,1,7-13,15H2,2-3H3,(H2,23,24,27,30)