ethyl 3-nitro-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzoic acid ethyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7S/c1-2-32-22(27)19-14-18(15-20(16-19)25(28)29)21(26)23-9-11-24(12-10-23)33(30,31)13-8-17-6-4-3-5-7-17/h3-8,13-16H,2,9-12H2,1H3/b13-8+