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

Systemtic Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-2-yl]-2-methyl-propanamide Openeye Name: N-[1-butyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]-2-methyl-propanamide CAS Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolyl]-2-methylpropanamide IUPAC Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-methylpropanamide Traditional Name: N-(1-butyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)-2-methyl-propionamide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-7-8-13-23-17(6)16(5)19(20(23)22-21(24)14(2)3)27(25,26)18-11-9-15(4)10-12-18/h9-12,14H,7-8,13H2,1-6H3,(H,22,24)