methyl 5-chloranyl-3-cyclohexyl-1-naphthalen-1-ylsulfonyl-3-oxidanyl-2H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-cyclohexyl-1-naphthalen-1-ylsulfonyl-3-oxidanyl-2H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-cyclohexyl-3-hydroxy-1-(1-naphthylsulfonyl)indoline-2-carboxylate CAS Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-(1-naphthalenylsulfonyl)-2H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-cyclohexyl-3-hydroxy-1-naphthalen-1-ylsulfonyl-2H-indole-2-carboxylate Traditional Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-(1-naphthylsulfonyl)indoline-2-carboxylic acid methyl ester Formula: C26H26ClNO5S MolecularWeight: 500.00634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)Cl)(C5CCCCC5)O

Isomeric SMILES

COC(=O)C1C(C2=C(N1S(=O)(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)Cl)(C5CCCCC5)O

InChI

InChI=1S/C26H26ClNO5S/c1-33-25(29)24-26(30,18-10-3-2-4-11-18)21-16-19(27)14-15-22(21)28(24)34(31,32)23-13-7-9-17-8-5-6-12-20(17)23/h5-9,12-16,18,24,30H,2-4,10-11H2,1H3