N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylsulfanylpyridin-3-yl)sulfonylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylsulfanylpyridin-3-yl)sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylsulfanyl-3-pyridyl)sulfonylamino]cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(methylthio)-3-pyridinyl]sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylsulfanylpyridin-3-yl)sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(methylthio)-3-pyridyl]sulfonylamino]cyclohexanecarboxamide Formula: C29H31N5O4S2 MolecularWeight: 577.71754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=C(N=CC=C4)SC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=C(N=CC=C4)SC)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O4S2/c1-34-22-15-8-7-14-21(22)24(20-12-5-3-6-13-20)31-25(27(34)35)32-28(36)29(17-9-4-10-18-29)33-40(37,38)23-16-11-19-30-26(23)39-2/h3,5-8,11-16,19,25,33H,4,9-10,17-18H2,1-2H3,(H,32,36)