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

Systemtic Name: N-[4-(2-methyl-3-phenethyl-1,5-dihydro-2,4-benzodiazepin-5-yl)phenyl]methanesulfonamide Openeye Name: N-[4-(2-methyl-3-phenethyl-1,5-dihydro-2,4-benzodiazepin-5-yl)phenyl]methanesulfonamide CAS Name: N-[4-(2-methyl-3-phenethyl-1,5-dihydro-2,4-benzodiazepin-5-yl)phenyl]methanesulfonamide IUPAC Name: N-[4-(2-methyl-3-phenethyl-1,5-dihydro-2,4-benzodiazepin-5-yl)phenyl]methanesulfonamide Traditional Name: N-[4-(2-methyl-3-phenethyl-1,5-dihydro-2,4-benzodiazepin-5-yl)phenyl]methanesulfonamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C25H27N3O2S/c1-28-18-21-10-6-7-11-23(21)25(20-13-15-22(16-14-20)27-31(2,29)30)26-24(28)17-12-19-8-4-3-5-9-19/h3-11,13-16,25,27H,12,17-18H2,1-2H3