N-[1-(3,4-dimethylphenyl)ethyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[1-(3,4-dimethylphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-[1-(3,4-dimethylphenyl)ethyl]nicotinamide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H26N2O3S2/c1-17-11-12-20(16-18(17)2)19(3)26-23(27)22-10-7-13-25-24(22)30-14-15-31(28,29)21-8-5-4-6-9-21/h4-13,16,19H,14-15H2,1-3H3,(H,26,27)