2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-3-[1-(4-isopropoxyphenyl)sulfonyl-4-piperidyl]indol-1-yl]acetic acid CAS Name: 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonyl-4-piperidinyl]-1-indolyl]acetic acid IUPAC Name: 2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-1-yl]acetic acid Traditional Name: 2-[6-cyano-3-[1-(4-isopropoxyphenyl)sulfonyl-4-piperidyl]indol-1-yl]acetic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CN(C4=C3C=CC(=C4)C#N)CC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CN(C4=C3C=CC(=C4)C#N)CC(=O)O

InChI

InChI=1S/C25H27N3O5S/c1-17(2)33-20-4-6-21(7-5-20)34(31,32)28-11-9-19(10-12-28)23-15-27(16-25(29)30)24-13-18(14-26)3-8-22(23)24/h3-8,13,15,17,19H,9-12,16H2,1-2H3,(H,29,30)