3-cyclohexyl-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[(4-methylsulfonylphenyl)methyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(4-mesylbenzyl)-2-phenyl-indole-6-carboxylic acid Formula: C29H29NO4S MolecularWeight: 487.60986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C29H29NO4S/c1-35(33,34)24-15-12-20(13-16-24)19-30-26-18-23(29(31)32)14-17-25(26)27(21-8-4-2-5-9-21)28(30)22-10-6-3-7-11-22/h3,6-7,10-18,21H,2,4-5,8-9,19H2,1H3,(H,31,32)