N-[4-[[2-methyl-5-(4-methylsulfanylphenyl)-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[2-methyl-5-(4-methylsulfanylphenyl)-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide Openeye Name: N-[4-[[2-methyl-5-(4-methylsulfanylphenyl)-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-methyl-5-[4-(methylthio)phenyl]-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[[2-methyl-5-(4-methylsulfanylphenyl)-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide Traditional Name: N-[4-[[2-methyl-5-[4-(methylthio)phenyl]-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(N=C1OCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1CC2=CC=CC=C2C(N=C1OCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H27N3O3S2/c1-28-16-20-6-4-5-7-23(20)24(19-10-14-22(32-2)15-11-19)26-25(28)31-17-18-8-12-21(13-9-18)27-33(3,29)30/h4-15,24,27H,16-17H2,1-3H3