methyl 5-chloranyl-3-cyclohexyl-3-oxidanyl-1-sulfonyl-2H-indol-1-ium-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-cyclohexyl-3-oxidanyl-1-sulfonyl-2H-indol-1-ium-2-carboxylate Openeye Name: methyl 5-chloro-3-cyclohexyl-3-hydroxy-1-sulfonyl-indolin-1-ium-2-carboxylate CAS Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-sulfonyl-2H-indol-1-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-cyclohexyl-3-hydroxy-1-sulfonyl-2H-indol-1-ium-2-carboxylate Traditional Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-sulfonyl-indolin-1-ium-2-carboxylic acid methyl ester Formula: C16H19ClNO5S+ MolecularWeight: 372.84376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C([N+]1=S(=O)=O)C=CC(=C2)Cl)(C3CCCCC3)O

Isomeric SMILES

COC(=O)C1C(C2=C([N+]1=S(=O)=O)C=CC(=C2)Cl)(C3CCCCC3)O

InChI

InChI=1S/C16H19ClNO5S/c1-23-15(19)14-16(20,10-5-3-2-4-6-10)12-9-11(17)7-8-13(12)18(14)24(21)22/h7-10,14,20H,2-6H2,1H3/q+1