N,N-dibutyl-7-cyano-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: N,N-dibutyl-7-cyano-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-N,N-dibutyl-7-cyano-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide CAS Name: N,N-dibutyl-7-cyano-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-N,N-dibutyl-7-cyano-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-N,N-dibutyl-7-cyano-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Formula: C31H39N5O2S MolecularWeight: 545.73866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C31H39N5O2S/c1-3-5-17-35(18-6-4-2)39(37,38)36-24-29-19-27(21-32)14-15-31(29)34(23-28-13-10-16-33-22-28)25-30(36)20-26-11-8-7-9-12-26/h7-16,19,22,30H,3-6,17-18,20,23-25H2,1-2H3