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

Systemtic Name: 1-(2-methylsulfonylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2-methylsulfonylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-methylsulfonylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-methylsulfonylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-mesylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-27(25,26)10-9-20-16-8-7-14(21(23)24)11-15(16)18(19-12-17(20)22)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3