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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-16-6-5-9-18(19(16)23(25)26)20(24)21-11-13-22(14-12-21)29(27,28)15-10-17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3/b15-10+