5-(2-chlorophenyl)-7-nitro-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-7-nitro-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(2-isopropylsulfonylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-7-nitro-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-7-nitro-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(2-isopropylsulfonylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)S(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-13(2)30(28,29)10-9-23-18-8-7-14(24(26)27)11-16(18)20(22-12-19(23)25)15-5-3-4-6-17(15)21/h3-8,11,13H,9-10,12H2,1-2H3