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

Systemtic Name: 6-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]-6-chloro-pyridine-3-carboxamide CAS Name: 6-chloro-N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolyl]-3-pyridinecarboxamide IUPAC Name: 6-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)-6-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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3S/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/h5-11,13H,1,12H2,2-4H3,(H,25,27)