N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]pentanamide

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]pentanamide Openeye Name: N-[1-allyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]pentanamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolyl]pentanamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrol-2-yl]pentanamide Traditional Name: N-(1-allyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)valeramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(N1CC=C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(N1CC=C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O3S/c1-6-8-9-19(24)22-21-20(16(4)17(5)23(21)14-7-2)27(25,26)18-12-10-15(3)11-13-18/h7,10-13H,2,6,8-9,14H2,1,3-5H3,(H,22,24)