2-(4-nitrophenyl)sulfanyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-tetralin-6-ylsulfonylpiperazino)ethanone Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S2/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/h5-10,15H,1-4,11-14,16H2