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

Systemtic Name: N-[4,5-dimethyl-1-(phenylmethyl)-3-(phenylsulfonyl)pyrrol-2-yl]pyridine-4-carboxamide Openeye Name: N-[3-(benzenesulfonyl)-1-benzyl-4,5-dimethyl-pyrrol-2-yl]pyridine-4-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-1-benzyl-4,5-dimethylpyrrol-2-yl]pyridine-4-carboxamide Traditional Name: N-(1-benzyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)isonicotinamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O3S/c1-18-19(2)28(17-20-9-5-3-6-10-20)24(27-25(29)21-13-15-26-16-14-21)23(18)32(30,31)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,27,29)