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

Systemtic Name: 5-(2-chlorophenyl)-1-(3-methylsulfonylpropyl)-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(3-methylsulfonylpropyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(3-methylsulfonylpropyl)-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(3-methylsulfonylpropyl)-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(3-mesylpropyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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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=C3Cl

Isomeric SMILES

CS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O5S/c1-29(27,28)10-4-9-22-17-8-7-13(23(25)26)11-15(17)19(21-12-18(22)24)14-5-2-3-6-16(14)20/h2-3,5-8,11H,4,9-10,12H2,1H3