(E)-3-(3-methoxyphenyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-methoxyphenyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(3-methoxyphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(3-methoxyphenyl)-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxyphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-N-[3-(3-ketopiperazino)sulfonylphenyl]-3-(3-methoxyphenyl)acrylamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C20H21N3O5S/c1-28-17-6-2-4-15(12-17)8-9-19(24)22-16-5-3-7-18(13-16)29(26,27)23-11-10-21-20(25)14-23/h2-9,12-13H,10-11,14H2,1H3,(H,21,25)(H,22,24)/b9-8+