1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N3O5S2/c26-22(16-31-20-8-6-19(7-9-20)25(27)28)23-11-13-24(14-12-23)32(29,30)21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15H,11-14,16H2