(E)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[1-(p-tolylsulfonyl)-4-piperidyl]prop-2-enamide CAS Name: (E)-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(1-tosyl-4-piperidyl)acrylamide Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7S/c1-16-2-5-21(6-3-16)34(30,31)25-10-8-19(9-11-25)24-22(27)7-4-17-12-20(26(28)29)13-18-14-32-15-33-23(17)18/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,24,27)/b7-4+