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

Systemtic Name: N-[1-butyl-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-2-yl]-2-chloranyl-pyridine-3-carboxamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethyl-pyrrol-2-yl]-2-chloro-pyridine-3-carboxamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethyl-2-pyrrolyl]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butyl-4,5-dimethylpyrrol-2-yl]-2-chloropyridine-3-carboxamide Traditional Name: N-(3-besyl-1-butyl-4,5-dimethyl-pyrrol-2-yl)-2-chloro-nicotinamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1NC(=O)C2=C(N=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCN1C(=C(C(=C1NC(=O)C2=C(N=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

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