4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S2/c27-23(21-14-17-9-8-16-4-1-2-7-20(16)22(17)32-21)24-10-12-25(13-11-24)33(30,31)19-6-3-5-18(15-19)26(28)29/h1-7,14-15H,8-13H2