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

Systemtic Name: 2-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]-2-chloro-pyridine-3-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]-2-chloropyridine-3-carboxamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)-2-chloro-nicotinamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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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=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/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/h5-12H,4,13H2,1-3H3,(H,24,26)