N-[3-fluoranyl-4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-oxidanyl-propane-1-sulfonamide

Systemtic Name: N-[3-fluoranyl-4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-oxidanyl-propane-1-sulfonamide Openeye Name: N-[3-fluoro-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-3-hydroxy-propane-1-sulfonamide CAS Name: N-[3-fluoro-4-[1-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]phenyl]-3-hydroxy-1-propanesulfonamide IUPAC Name: N-[3-fluoro-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-3-hydroxypropane-1-sulfonamide Traditional Name: N-[3-fluoro-4-[1-(5-p-toluoyl-1H-pyrrol-2-yl)ethyl]phenyl]-3-hydroxy-propane-1-sulfonamide Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCCO)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCCO)F

InChI

InChI=1S/C23H25FN2O4S/c1-15-4-6-17(7-5-15)23(28)22-11-10-21(25-22)16(2)19-9-8-18(14-20(19)24)26-31(29,30)13-3-12-27/h4-11,14,16,25-27H,3,12-13H2,1-2H3