(E)-4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-2-(1H-indol-2-yl)-3-(phenylsulfonyl)but-2-enoic acid

Systemtic Name: (E)-4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-2-(1H-indol-2-yl)-3-(phenylsulfonyl)but-2-enoic acid Openeye Name: (E)-3-(benzenesulfonyl)-4-(2-butoxy-3,5-diisopropyl-phenyl)-2-(1H-indol-2-yl)but-2-enoic acid CAS Name: (E)-3-(benzenesulfonyl)-4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-2-(1H-indol-2-yl)-2-butenoic acid IUPAC Name: (E)-3-(benzenesulfonyl)-4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-2-(1H-indol-2-yl)but-2-enoic acid Traditional Name: (E)-3-besyl-4-(2-butoxy-3,5-diisopropyl-phenyl)-2-(1H-indol-2-yl)but-2-enoic acid Formula: C34H39NO5S MolecularWeight: 573.74216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C(C)C)C(C)C)CC(=C(C2=CC3=CC=CC=C3N2)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C(C)C)C(C)C)C/C(=C(/C2=CC3=CC=CC=C3N2)\C(=O)O)/S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C34H39NO5S/c1-6-7-17-40-33-26(18-25(22(2)3)19-28(33)23(4)5)21-31(41(38,39)27-14-9-8-10-15-27)32(34(36)37)30-20-24-13-11-12-16-29(24)35-30/h8-16,18-20,22-23,35H,6-7,17,21H2,1-5H3,(H,36,37)/b32-31+