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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)CC(C)C

InChI

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