ethyl (E)-2-cyano-3-[4-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]phenyl]acrylic acid ethyl ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)/C#N

InChI

InChI=1S/C23H22N4O6S/c1-2-33-23(30)18(14-24)12-16-6-8-19(9-7-16)26-22(29)17-4-3-5-20(13-17)34(31,32)27-11-10-25-21(28)15-27/h3-9,12-13H,2,10-11,15H2,1H3,(H,25,28)(H,26,29)/b18-12+