N-[1-butyl-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-2-yl]-2-methyl-propanamide

Systemtic Name: N-[1-butyl-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-2-yl]-2-methyl-propanamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethyl-pyrrol-2-yl]-2-methyl-propanamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethyl-2-pyrrolyl]-2-methylpropanamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethylpyrrol-2-yl]-2-methylpropanamide Traditional Name: N-(3-besyl-1-butyl-4,5-dimethyl-pyrrol-2-yl)-2-methyl-propionamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1NC(=O)C(C)C)S(=O)(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCN1C(=C(C(=C1NC(=O)C(C)C)S(=O)(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C20H28N2O3S/c1-6-7-13-22-16(5)15(4)18(19(22)21-20(23)14(2)3)26(24,25)17-11-9-8-10-12-17/h8-12,14H,6-7,13H2,1-5H3,(H,21,23)