1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-(phenylsulfonyl)propan-1-one dihydrochloride

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-(phenylsulfonyl)propan-1-one dihydrochloride Openeye Name: 3-(benzenesulfonyl)-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one dihydrochloride CAS Name: 3-(benzenesulfonyl)-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-propanone dihydrochloride IUPAC Name: 3-(benzenesulfonyl)-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one dihydrochloride Traditional Name: 3-besyl-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one dihydrochloride Formula: C28H30Cl2N4O3S MolecularWeight: 573.5338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)CCS(=O)(=O)C3=CC=CC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5.Cl.Cl

Isomeric SMILES

C1CN(C2=C(CN1C(=O)CCS(=O)(=O)C3=CC=CC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5.Cl.Cl

InChI

InChI=1S/C28H28N4O3S.2ClH/c33-28(13-16-36(34,35)26-9-5-2-6-10-26)32-15-14-31(20-25-18-29-21-30-25)27-12-11-23(17-24(27)19-32)22-7-3-1-4-8-22;;/h1-12,17-18,21H,13-16,19-20H2,(H,29,30);2*1H