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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S/c20-17-7-6-16(14-18(17)23(25)26)19(24)21-9-11-22(12-10-21)29(27,28)13-8-15-4-2-1-3-5-15/h1-8,13-14H,9-12,20H2/b13-8+