N-(6-methoxy-2-phenylsulfanyl-pyridin-3-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

Systemtic Name: N-(6-methoxy-2-phenylsulfanyl-pyridin-3-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide Openeye Name: 4-(isopropylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridyl)cyclohexanecarboxamide CAS Name: N-[6-methoxy-2-(phenylthio)-3-pyridinyl]-4-(propan-2-ylsulfonylamino)-1-cyclohexanecarboxamide IUPAC Name: N-(6-methoxy-2-phenylsulfanylpyridin-3-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide Traditional Name: 4-(isopropylsulfonylamino)-N-[6-methoxy-2-(phenylthio)-3-pyridyl]cyclohexanecarboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=C(N=C(C=C2)OC)SC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=C(N=C(C=C2)OC)SC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S2/c1-15(2)31(27,28)25-17-11-9-16(10-12-17)21(26)23-19-13-14-20(29-3)24-22(19)30-18-7-5-4-6-8-18/h4-8,13-17,25H,9-12H2,1-3H3,(H,23,26)