2-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]-2-chloro-pyridine-3-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-2-chloropyridine-3-carboxamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)-2-chloro-nicotinamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)Cl)CC=C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)Cl)CC=C)C

InChI

InChI=1S/C21H20ClN3O3S/c1-4-13-25-15(3)14(2)18(29(27,28)16-9-6-5-7-10-16)20(25)24-21(26)17-11-8-12-23-19(17)22/h4-12H,1,13H2,2-3H3,(H,24,26)