N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide Formula: C30H27N5O3S MolecularWeight: 537.63208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)NS(=O)(=O)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=CC(=C2)NS(=O)(=O)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C30H27N5O3S/c36-30(28-12-6-8-22-7-4-5-11-27(22)28)35-16-15-34(20-25-18-31-21-32-25)29-17-24(14-13-23(29)19-35)33-39(37,38)26-9-2-1-3-10-26/h1-14,17-18,21,33H,15-16,19-20H2,(H,31,32)