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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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