(4-tert-butylcyclohexyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylcyclohexyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylcyclohexyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylcyclohexyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylcyclohexyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylcyclohexyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H33N3O5S/c1-22(2,3)17-7-5-16(6-8-17)21(26)24-13-11-23(12-14-24)19-10-9-18(31(4,29)30)15-20(19)25(27)28/h9-10,15-17H,5-8,11-14H2,1-4H3