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

Systemtic Name: 7-nitro-5-phenyl-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-phenyl-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-nitro-5-phenyl-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-nitro-5-phenyl-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-phenyl-1-(2-propylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c1-2-11-29(27,28)12-10-22-18-9-8-16(23(25)26)13-17(18)20(21-14-19(22)24)15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3