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

Systemtic Name: (E)-6-[4-(5-methyl-2-oxidanyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (E)-6-[4-(2-hydroxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (E)-6-[4-(2-hydroxy-5-methylphenyl)-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (E)-6-[4-(2-hydroxy-5-methylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (E)-6-[4-(2-hydroxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5S/c1-19-14-15-25(29)23(16-19)24-18-28(17-21(24)9-3-2-4-13-27(30)31)34(32,33)26-12-7-10-20-8-5-6-11-22(20)26/h2-3,5-8,10-12,14-16,21,24,29H,4,9,13,17-18H2,1H3,(H,30,31)/b3-2+