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

Systemtic Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-benzyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-benzylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-benzyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H32N2O5S/c1-3-32-25(29)22-11-9-21(10-12-22)18-27(17-20-7-5-4-6-8-20)33(30,31)24-15-13-23(14-16-24)26-19(2)28/h4-8,13-16,21-22H,3,9-12,17-18H2,1-2H3,(H,26,28)