7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate Openeye Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate Traditional Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one sulfate Formula: C16H13ClN2O5S-2 MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H13ClN2O.H2O4S/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;1-5(2,3)4/h2-9H,10H2,1H3;(H2,1,2,3,4)/p-2