ethyl 4-[[(2-methylphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2-methylphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-nitrophenyl)sulfonyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-methylphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methylphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-methylbenzyl)-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O6S/c1-3-32-24(27)20-13-11-19(12-14-20)16-25(17-21-8-5-4-7-18(21)2)33(30,31)23-10-6-9-22(15-23)26(28)29/h4-10,15,19-20H,3,11-14,16-17H2,1-2H3