N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(2-thienylsulfonylamino)cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(thiophen-2-ylsulfonylamino)-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(2-thienylsulfonylamino)cyclohexanecarboxamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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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=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O4S2/c1-31-21-14-7-6-13-20(21)23(19-11-4-2-5-12-19)28-24(25(31)32)29-26(33)27(16-8-3-9-17-27)30-37(34,35)22-15-10-18-36-22/h2,4-7,10-15,18,24,30H,3,8-9,16-17H2,1H3,(H,29,33)