2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-pyridylmethyl)acetamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H23N3O3S2/c1-17-5-7-19(8-6-17)25(16-22(26)24-15-18-4-3-13-23-14-18)30(27,28)21-11-9-20(29-2)10-12-21/h3-14H,15-16H2,1-2H3,(H,24,26)