N-[4-[(5R)-4-butanoyl-3-oxidanyl-5-thiophen-2-yl-cyclohexa-1,3-dien-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(5R)-4-butanoyl-3-oxidanyl-5-thiophen-2-yl-cyclohexa-1,3-dien-1-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(5R)-4-butanoyl-3-hydroxy-5-(2-thienyl)cyclohexa-1,3-dien-1-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(5R)-3-hydroxy-4-(1-oxobutyl)-5-thiophen-2-yl-1-cyclohexa-1,3-dienyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(5R)-4-butanoyl-3-hydroxy-5-thiophen-2-ylcyclohexa-1,3-dien-1-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-4-butyryl-3-hydroxy-5-(2-thienyl)cyclohexa-1,3-dien-1-yl]phenyl]methanesulfonamide Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(CC1C2=CC=CS2)C3=CC=C(C=C3)NS(=O)(=O)C)O

Isomeric SMILES

CCCC(=O)C1=C(C=C(C[C@H]1C2=CC=CS2)C3=CC=C(C=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C21H23NO4S2/c1-3-5-18(23)21-17(20-6-4-11-27-20)12-15(13-19(21)24)14-7-9-16(10-8-14)22-28(2,25)26/h4,6-11,13,17,22,24H,3,5,12H2,1-2H3/t17-/m0/s1