N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]benzenesulfonamide CAS Name: 4-acetyl-N-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-(2,5-dimethylpyrrol-1-yl)benzyl]benzenesulfonamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H22N2O3S/c1-15-4-5-16(2)23(15)20-10-6-18(7-11-20)14-22-27(25,26)21-12-8-19(9-13-21)17(3)24/h4-13,22H,14H2,1-3H3