6-chloranyl-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-pyrrol-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-pyrrol-2-yl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4,5-dimethyl-1-propyl-3-(p-tolylsulfonyl)pyrrol-2-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propyl-2-pyrrolyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propylpyrrol-2-yl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-(4,5-dimethyl-1-propyl-3-tosyl-pyrrol-2-yl)nicotinamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C22H24ClN3O3S/c1-5-12-26-16(4)15(3)20(30(28,29)18-9-6-14(2)7-10-18)21(26)25-22(27)17-8-11-19(23)24-13-17/h6-11,13H,5,12H2,1-4H3,(H,25,27)