1-(2-methyl-3-nitro-phenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine Openeye Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-tetralin-6-ylsulfonyl-piperazine CAS Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine IUPAC Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine Traditional Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-tetralin-6-ylsulfonyl-piperazine Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S2/c1-16-20(24(25)26)7-4-8-21(16)32(29,30)23-13-11-22(12-14-23)31(27,28)19-10-9-17-5-2-3-6-18(17)15-19/h4,7-10,15H,2-3,5-6,11-14H2,1H3