[8-chloranyl-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [8-chloranyl-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-chloranylbenzenesulfonate Openeye Name: [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] ester IUPAC Name: [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] ester Formula: C23H15Cl3N2O5S2 MolecularWeight: 569.8646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C2)Cl)C(=C1C#N)OS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(C2=C(C=CC(=C2)Cl)C(=C1C#N)OS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H15Cl3N2O5S2/c24-16-1-6-19(7-2-16)34(29,30)28-12-11-15(14-27)23(21-10-5-18(26)13-22(21)28)33-35(31,32)20-8-3-17(25)4-9-20/h1-10,13H,11-12H2