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

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-nosyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H27BrN2O6S MolecularWeight: 539.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O6S/c1-2-32-23(27)19-8-6-17(7-9-19)15-25(16-18-4-3-5-20(24)14-18)33(30,31)22-12-10-21(11-13-22)26(28)29/h3-5,10-14,17,19H,2,6-9,15-16H2,1H3