2-(3,4-dimethylphenyl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(4-morpholinosulfonylphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(4-morpholinosulfonylbenzyl)nicotinamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C25H27N3O4S2/c1-18-5-8-21(16-19(18)2)33-25-23(4-3-11-26-25)24(29)27-17-20-6-9-22(10-7-20)34(30,31)28-12-14-32-15-13-28/h3-11,16H,12-15,17H2,1-2H3,(H,27,29)