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

Systemtic Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O6S/c1-4-34-26(30)22-9-5-20(6-10-22)17-28(18-21-7-13-24(33-3)14-8-21)35(31,32)25-15-11-23(12-16-25)27-19(2)29/h7-8,11-16,20,22H,4-6,9-10,17-18H2,1-3H3,(H,27,29)