7-bromanyl-1-(3-ethylsulfonylpropyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-1-(3-ethylsulfonylpropyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-1-(3-esylpropyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CCS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C19H20BrN3O3S/c1-2-27(25,26)11-5-10-23-17-8-7-14(20)12-15(17)19(22-13-18(23)24)16-6-3-4-9-21-16/h3-4,6-9,12H,2,5,10-11,13H2,1H3