(E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H23N4O7S+ MolecularWeight: 475.49492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H22N4O7S/c1-23-8-10-24(11-9-23)33(29,30)17-5-3-16(4-6-17)22-21(26)7-2-15-12-19-20(32-14-31-19)13-18(15)25(27)28/h2-7,12-13H,8-11,14H2,1H3,(H,22,26)/p+1/b7-2+