7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-methoxy-1-(2-methylsulfinylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(2-methylsulfinylethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C37H37N5O7S2 MolecularWeight: 727.84898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3)CCS(=O)C.CS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3)CCS(=O)C.CS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S.C18H17N3O4S/c1-24-15-8-9-17-16(12-15)19(14-6-4-3-5-7-14)20-13-18(22)21(17)10-11-25(2)23;1-26(25)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/h3-9,12H,10-11,13H2,1-2H3;2-8,11H,9-10,12H2,1H3