2-(4-methylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Openeye Name: 2-(p-tolylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Traditional Name: 2-(p-tolylthio)-N-(4-pyrrolidinosulfonylphenyl)nicotinamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23N3O3S2/c1-17-6-10-19(11-7-17)30-23-21(5-4-14-24-23)22(27)25-18-8-12-20(13-9-18)31(28,29)26-15-2-3-16-26/h4-14H,2-3,15-16H2,1H3,(H,25,27)