7-chloranyl-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-fluorophenyl)-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Formula: C20H20ClFN2O3S MolecularWeight: 422.900803

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F

Isomeric SMILES

CCCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F

InChI

InChI=1S/C20H20ClFN2O3S/c1-2-10-28(26,27)11-9-24-18-8-7-14(21)12-16(18)20(23-13-19(24)25)15-5-3-4-6-17(15)22/h3-8,12H,2,9-11,13H2,1H3