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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(naphthalen-2-ylsulfonylamino)cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(2-naphthylsulfonylamino)cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(2-naphthalenylsulfonylamino)-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(naphthalen-2-ylsulfonylamino)cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(2-naphthylsulfonylamino)cyclohexanecarboxamide Formula: C33H32N4O4S MolecularWeight: 580.69658

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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=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C33H32N4O4S/c1-37-28-17-9-8-16-27(28)29(24-13-4-2-5-14-24)34-30(31(37)38)35-32(39)33(20-10-3-11-21-33)36-42(40,41)26-19-18-23-12-6-7-15-25(23)22-26/h2,4-9,12-19,22,30,36H,3,10-11,20-21H2,1H3,(H,35,39)