(4-methyl-3-nitro-phenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-16-7-8-18(15-19(16)23(25)26)20(24)21-10-12-22(13-11-21)29(27,28)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b14-9+