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

Systemtic Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-nosyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN2O6S/c1-2-32-23(27)19-7-3-17(4-8-19)15-25(16-18-5-9-20(24)10-6-18)33(30,31)22-13-11-21(12-14-22)26(28)29/h5-6,9-14,17,19H,2-4,7-8,15-16H2,1H3