methyl 5-chloranyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-3-pentyl-2H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-3-pentyl-2H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-hydroxy-3-pentyl-1-(p-tolylsulfonyl)indoline-2-carboxylate CAS Name: 5-chloro-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-pentyl-2H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-pentyl-2H-indole-2-carboxylate Traditional Name: 3-amyl-5-chloro-3-hydroxy-1-tosyl-indoline-2-carboxylic acid methyl ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(N(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)O

Isomeric SMILES

CCCCCC1(C(N(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)O

InChI

InChI=1S/C22H26ClNO5S/c1-4-5-6-13-22(26)18-14-16(23)9-12-19(18)24(20(22)21(25)29-3)30(27,28)17-10-7-15(2)8-11-17/h7-12,14,20,26H,4-6,13H2,1-3H3