ethyl 4-[[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[isobutyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[2-methylpropyl-(4-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-methylpropyl-(4-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[isobutyl(nosyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O6S/c1-4-28-20(23)17-7-5-16(6-8-17)14-21(13-15(2)3)29(26,27)19-11-9-18(10-12-19)22(24)25/h9-12,15-17H,4-8,13-14H2,1-3H3