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

Systemtic Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-bromophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[brosyl(p-anisyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30BrNO5S MolecularWeight: 524.4677

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO5S/c1-3-31-24(27)20-8-4-18(5-9-20)16-26(17-19-6-12-22(30-2)13-7-19)32(28,29)23-14-10-21(25)11-15-23/h6-7,10-15,18,20H,3-5,8-9,16-17H2,1-2H3