(E)-6-[4-(2-methoxy-5-methyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid

Systemtic Name: (E)-6-[4-(2-methoxy-5-methyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (E)-6-[4-(2-methoxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (E)-6-[4-(2-methoxy-5-methylphenyl)-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (E)-6-[4-(2-methoxy-5-methylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (E)-6-[4-(2-methoxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid Formula: C28H31NO5S MolecularWeight: 493.61444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2CN(CC2CC=CCCC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2CN(CC2C/C=C/CCC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H31NO5S/c1-20-15-16-26(34-2)24(17-20)25-19-29(18-22(25)10-4-3-5-14-28(30)31)35(32,33)27-13-8-11-21-9-6-7-12-23(21)27/h3-4,6-9,11-13,15-17,22,25H,5,10,14,18-19H2,1-2H3,(H,30,31)/b4-3+