4-methylbenzenesulfonic acid; 1-[4-(4-nitrophenyl)cyclohexyl]piperidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[4-(4-nitrophenyl)cyclohexyl]piperidine Openeye Name: 4-methylbenzenesulfonic acid; 1-[4-(4-nitrophenyl)cyclohexyl]piperidine CAS Name: 4-methylbenzenesulfonic acid; 1-[4-(4-nitrophenyl)cyclohexyl]piperidine IUPAC Name: 4-methylbenzenesulfonic acid; 1-[4-(4-nitrophenyl)cyclohexyl]piperidine Traditional Name: 1-[4-(4-nitrophenyl)cyclohexyl]piperidine; tosylic acid Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O2.C7H8O3S/c20-19(21)17-10-6-15(7-11-17)14-4-8-16(9-5-14)18-12-2-1-3-13-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,10-11,14,16H,1-5,8-9,12-13H2;2-5H,1H3,(H,8,9,10)