[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C25H29ClN2O6S MolecularWeight: 521.02556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C25H29ClN2O6S/c1-3-15-28(19-9-11-20(33-2)12-10-19)35(31,32)21-13-14-23(26)22(16-21)25(30)34-17-24(29)27-18-7-5-4-6-8-18/h3,9-14,16,18H,1,4-8,15,17H2,2H3,(H,27,29)