N-[4-[[5-(4-ethoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]ethanesulfonamide

Systemtic Name: N-[4-[[5-(4-ethoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[4-[[5-(4-ethoxybenzoyl)-1-methyl-pyrrol-2-yl]methyl]-3-fluoro-phenyl]ethanesulfonamide CAS Name: N-[4-[[5-[(4-ethoxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]methyl]-3-fluorophenyl]ethanesulfonamide IUPAC Name: N-[4-[[5-(4-ethoxybenzoyl)-1-methylpyrrol-2-yl]methyl]-3-fluorophenyl]ethanesulfonamide Traditional Name: N-[4-[[5-(4-ethoxybenzoyl)-1-methyl-pyrrol-2-yl]methyl]-3-fluoro-phenyl]ethanesulfonamide Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CC)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CC)F

InChI

InChI=1S/C23H25FN2O4S/c1-4-30-20-11-7-16(8-12-20)23(27)22-13-10-19(26(22)3)14-17-6-9-18(15-21(17)24)25-31(28,29)5-2/h6-13,15,25H,4-5,14H2,1-3H3