1-(3-methylsulfonylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(3-methylsulfonylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3-methylsulfonylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3-methylsulfonylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3-methylsulfonylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(3-mesylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-28(26,27)11-5-10-21-17-9-8-15(22(24)25)12-16(17)19(20-13-18(21)23)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3