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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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