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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(N=C1COC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1CC2=CC=CC=C2C(N=C1COC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)SC

InChI

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