1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-5H-1,4-benzodiazepine

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-5H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-1-[(3-methyl-4-imidazolyl)methyl]-3-(phenylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-besyl-1-[(3-methylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine Formula: C27H26N4O2S MolecularWeight: 470.58594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-29-21-28-17-25(29)20-30-19-24(16-22-10-4-2-5-11-22)31(18-23-12-8-9-15-27(23)30)34(32,33)26-13-6-3-7-14-26/h2-15,17,19,21H,16,18,20H2,1H3