(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazino)sulfonylphenyl]acrylamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5S/c1-23-10-12-24(13-11-23)30(26,27)18-6-4-17(5-7-18)22-21(25)9-3-16-2-8-19-20(14-16)29-15-28-19/h2-9,14H,10-13,15H2,1H3,(H,22,25)/b9-3+