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

Systemtic Name: 2-chloranyl-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-allyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]-2-chloro-pyridine-3-carboxamide CAS Name: 2-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrol-2-yl]pyridine-3-carboxamide Traditional Name: N-(1-allyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)-2-chloro-nicotinamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S/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/h5-12H,1,13H2,2-4H3,(H,25,27)