methyl (1S,2S)-1-[1-(4-methoxyphenyl)sulfonylindol-2-yl]-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-1-[1-(4-methoxyphenyl)sulfonylindol-2-yl]-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-hydroxy-1-[1-(4-methoxyphenyl)sulfonylindol-2-yl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-hydroxy-1-[1-(4-methoxyphenyl)sulfonyl-2-indolyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-hydroxy-1-[1-(4-methoxyphenyl)sulfonylindol-2-yl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-hydroxy-1-[1-(4-methoxyphenyl)sulfonylindol-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4(CCCCC4O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2[C@]4(CCCC[C@@H]4O)C(=O)OC

InChI

InChI=1S/C23H25NO6S/c1-29-17-10-12-18(13-11-17)31(27,28)24-19-8-4-3-7-16(19)15-20(24)23(22(26)30-2)14-6-5-9-21(23)25/h3-4,7-8,10-13,15,21,25H,5-6,9,14H2,1-2H3/t21-,23-/m0/s1