7-cyano-N-(1-cyclopropylbutan-2-yl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: 7-cyano-N-(1-cyclopropylbutan-2-yl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-7-cyano-N-[1-(cyclopropylmethyl)propyl]-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide CAS Name: 7-cyano-N-(1-cyclopropylbutan-2-yl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-7-cyano-N-(1-cyclopropylbutan-2-yl)-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-7-cyano-N-[1-(cyclopropylmethyl)propyl]-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-4-sulfonamide Formula: C28H32N6O2S MolecularWeight: 516.65768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CC1)NS(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CCC(CC1CC1)NS(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H32N6O2S/c1-2-25(13-22-8-9-22)32-37(35,36)34-17-24-12-23(15-29)10-11-28(24)33(18-26-16-30-20-31-26)19-27(34)14-21-6-4-3-5-7-21/h3-7,10-12,16,19-20,22,25,32H,2,8-9,13-14,17-18H2,1H3,(H,30,31)