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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]pyridine-4-carboxamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]pyridine-4-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]pyridine-4-carboxamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)isonicotinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-4-14-24-16(3)15(2)19(28(26,27)18-8-6-5-7-9-18)20(24)23-21(25)17-10-12-22-13-11-17/h4-13H,1,14H2,2-3H3,(H,23,25)