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

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(4-pyridylmethyl)benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-3-25(30(27,28)21-10-8-20(29-2)9-11-21)19-6-4-18(5-7-19)22(26)24-16-17-12-14-23-15-13-17/h4-15H,3,16H2,1-2H3,(H,24,26)