[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-tetralin-6-yl-methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-tetralin-6-yl-methanone Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-31-21-9-8-19(15-20(21)25(27)28)32(29,30)24-12-10-23(11-13-24)22(26)18-7-6-16-4-2-3-5-17(16)14-18/h6-9,14-15H,2-5,10-13H2,1H3