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

Systemtic Name: 6-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]-6-chloro-pyridine-3-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-6-chloro-3-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-6-chloropyridine-3-carboxamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)-6-chloro-nicotinamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CN=C(C=C3)Cl)CC=C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CN=C(C=C3)Cl)CC=C)C

InChI

InChI=1S/C21H20ClN3O3S/c1-4-12-25-15(3)14(2)19(29(27,28)17-8-6-5-7-9-17)20(25)24-21(26)16-10-11-18(22)23-13-16/h4-11,13H,1,12H2,2-3H3,(H,24,26)