(E)-3-(2,4-dimethylphenyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dimethylphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(2,4-dimethylphenyl)-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethylphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dimethylphenyl)-N-[3-(3-ketopiperazino)sulfonylphenyl]acrylamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

InChI

InChI=1S/C21H23N3O4S/c1-15-6-7-17(16(2)12-15)8-9-20(25)23-18-4-3-5-19(13-18)29(27,28)24-11-10-22-21(26)14-24/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,26)(H,23,25)/b9-8+