4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[methyl-[4-(methylthio)phenyl]sulfonylamino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(3-pyridylmethyl)benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21N3O3S2/c1-24(29(26,27)20-11-9-19(28-2)10-12-20)18-7-5-17(6-8-18)21(25)23-15-16-4-3-13-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)