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

Systemtic Name: ethyl 4-[[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[benzyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-nitrophenyl)sulfonyl-(phenylmethyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(3-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[benzyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-2-31-23(26)20-13-11-19(12-14-20)17-24(16-18-7-4-3-5-8-18)32(29,30)22-10-6-9-21(15-22)25(27)28/h3-10,15,19-20H,2,11-14,16-17H2,1H3