1-(phenylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-5H-1,4-benzodiazepine

Systemtic Name: 1-(phenylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-5H-1,4-benzodiazepine Openeye Name: 1-benzyl-4-propylsulfonyl-7-(4-pyridyl)-5H-1,4-benzodiazepine CAS Name: 1-(phenylmethyl)-4-propylsulfonyl-7-pyridin-4-yl-5H-1,4-benzodiazepine IUPAC Name: 1-benzyl-4-propylsulfonyl-7-pyridin-4-yl-5H-1,4-benzodiazepine Traditional Name: 1-benzyl-4-propylsulfonyl-7-(4-pyridyl)-5H-1,4-benzodiazepine Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(C=C1)CC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(C=C1)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-2-16-30(28,29)27-15-14-26(18-20-6-4-3-5-7-20)24-9-8-22(17-23(24)19-27)21-10-12-25-13-11-21/h3-15,17H,2,16,18-19H2,1H3