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

Systemtic Name: N-[3-fluoranyl-4-[[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]methyl]phenyl]-3-oxidanyl-propane-1-sulfonamide Openeye Name: N-[3-fluoro-4-[[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-hydroxy-propane-1-sulfonamide CAS Name: N-[3-fluoro-4-[[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]methyl]phenyl]-3-hydroxy-1-propanesulfonamide IUPAC Name: N-[3-fluoro-4-[[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]-3-hydroxypropane-1-sulfonamide Traditional Name: N-[3-fluoro-4-[(1-methyl-5-p-toluoyl-pyrrol-2-yl)methyl]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(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCCO)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCCO)F

InChI

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