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

Systemtic Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-2-yl]pyridine-4-carboxamide Openeye Name: N-[1-butyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]pyridine-4-carboxamide CAS Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[1-butyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide Traditional Name: N-(1-butyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)isonicotinamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCN1C(=C(C(=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C23H27N3O3S/c1-5-6-15-26-18(4)17(3)21(30(28,29)20-9-7-16(2)8-10-20)22(26)25-23(27)19-11-13-24-14-12-19/h7-14H,5-6,15H2,1-4H3,(H,25,27)