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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-N-[3-(3-ketopiperazino)sulfonylphenyl]-3-(4-methoxyphenyl)acrylamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-28-17-8-5-15(6-9-17)7-10-19(24)22-16-3-2-4-18(13-16)29(26,27)23-12-11-21-20(25)14-23/h2-10,13H,11-12,14H2,1H3,(H,21,25)(H,22,24)/b10-7+