methyl 2-[(3-chloranyl-1-cyclohexylcarbonyl-cyclohexa-2,4-dien-1-yl)-(4-methoxyphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(3-chloranyl-1-cyclohexylcarbonyl-cyclohexa-2,4-dien-1-yl)-(4-methoxyphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[[3-chloro-1-(cyclohexanecarbonyl)cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)sulfonyl-amino]acetate CAS Name: 2-[[3-chloro-1-[cyclohexyl(oxo)methyl]-1-cyclohexa-2,4-dienyl]-(4-methoxyphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-1-(cyclohexanecarbonyl)cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)sulfonylamino]acetate Traditional Name: 2-[[3-chloro-1-(cyclohexanecarbonyl)cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)sulfonyl-amino]acetic acid methyl ester Formula: C23H28ClNO6S MolecularWeight: 481.98952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2(CC=CC(=C2)Cl)C(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)C2(CC=CC(=C2)Cl)C(=O)C3CCCCC3

InChI

InChI=1S/C23H28ClNO6S/c1-30-19-10-12-20(13-11-19)32(28,29)25(16-21(26)31-2)23(14-6-9-18(24)15-23)22(27)17-7-4-3-5-8-17/h6,9-13,15,17H,3-5,7-8,14,16H2,1-2H3