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

Systemtic Name: 7-bromanyl-1-(3-ethylsulfonylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-1-(3-ethylsulfonylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-1-(3-esylpropyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c1-2-27(25,26)12-6-11-23-18-10-9-16(21)13-17(18)20(22-14-19(23)24)15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3