N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2O3S/c1-15-3-4-16(2)24(15)19-9-7-18(8-10-19)23-21(25)13-14-28(26,27)20-11-5-17(22)6-12-20/h3-12H,13-14H2,1-2H3,(H,23,25)