5-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 5-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 5-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 5-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C22H23NO6S MolecularWeight: 429.48612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=CC(=C(C=C3)O)S(=O)(=O)CC4CCC4)C

Isomeric SMILES

CC1=CC2=C(C=C(N2)C(=O)O)C(=C1OC3=CC(=C(C=C3)O)S(=O)(=O)CC4CCC4)C

InChI

InChI=1S/C22H23NO6S/c1-12-8-17-16(10-18(23-17)22(25)26)13(2)21(12)29-15-6-7-19(24)20(9-15)30(27,28)11-14-4-3-5-14/h6-10,14,23-24H,3-5,11H2,1-2H3,(H,25,26)