ethyl 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-(3-nitrophenyl)sulfonyl-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=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O6S/c1-2-32-23(27)19-10-6-17(7-11-19)15-25(16-18-8-12-20(24)13-9-18)33(30,31)22-5-3-4-21(14-22)26(28)29/h3-5,8-9,12-14,17,19H,2,6-7,10-11,15-16H2,1H3