1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(4-phenylcyclohexyl)piperazin-4-ium Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c26-25(27)21-10-12-22(13-11-21)30(28,29)24-16-14-23(15-17-24)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-5,10-13,19-20H,6-9,14-17H2/p+1