3-methylbutyl 5-chloranyl-3-cyclohexyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-2H-indole-2-carboxylate

Systemtic Name: 3-methylbutyl 5-chloranyl-3-cyclohexyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-2H-indole-2-carboxylate Openeye Name: isopentyl 5-chloro-3-cyclohexyl-3-hydroxy-1-(p-tolylsulfonyl)indoline-2-carboxylate CAS Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2H-indole-2-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-chloro-3-cyclohexyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2H-indole-2-carboxylate Traditional Name: 5-chloro-3-cyclohexyl-3-hydroxy-1-tosyl-indoline-2-carboxylic acid isoamyl ester Formula: C27H34ClNO5S MolecularWeight: 520.08056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4CCCCC4)O)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4CCCCC4)O)C(=O)OCCC(C)C

InChI

InChI=1S/C27H34ClNO5S/c1-18(2)15-16-34-26(30)25-27(31,20-7-5-4-6-8-20)23-17-21(28)11-14-24(23)29(25)35(32,33)22-12-9-19(3)10-13-22/h9-14,17-18,20,25,31H,4-8,15-16H2,1-3H3