5-[cyclohexyl(pyridin-2-yl)methyl]-2-ethyl-3-methylsulfonyl-benzene-1,4-dicarboxamide

Systemtic Name: 5-[cyclohexyl(pyridin-2-yl)methyl]-2-ethyl-3-methylsulfonyl-benzene-1,4-dicarboxamide Openeye Name: 5-[cyclohexyl(2-pyridyl)methyl]-2-ethyl-3-methylsulfonyl-terephthalamide CAS Name: 5-[cyclohexyl(2-pyridinyl)methyl]-2-ethyl-3-methylsulfonylbenzene-1,4-dicarboxamide IUPAC Name: 5-[cyclohexyl(pyridin-2-yl)methyl]-2-ethyl-3-methylsulfonylbenzene-1,4-dicarboxamide Traditional Name: 5-[cyclohexyl(2-pyridyl)methyl]-2-ethyl-3-mesyl-terephthalamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)N)C(C2CCCCC2)C3=CC=CC=N3)C(=O)N)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)N)C(C2CCCCC2)C3=CC=CC=N3)C(=O)N)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-3-15-16(22(24)27)13-17(20(23(25)28)21(15)31(2,29)30)19(14-9-5-4-6-10-14)18-11-7-8-12-26-18/h7-8,11-14,19H,3-6,9-10H2,1-2H3,(H2,24,27)(H2,25,28)