(E)-3-[4-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(3-acetylphenyl)sulfonylpiperazino]-3-nitro-phenyl]acrylic acid Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-15(25)17-3-2-4-18(14-17)32(30,31)23-11-9-22(10-12-23)19-7-5-16(6-8-21(26)27)13-20(19)24(28)29/h2-8,13-14H,9-12H2,1H3,(H,26,27)/b8-6+