6-chloranyl-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 6-chloranyl-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 6-chloro-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 6-chloro-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 6-chloro-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 6-chloro-2-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C18H17Cl2N3O2S2 MolecularWeight: 442.38248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C18H17Cl2N3O2S2/c19-13-2-5-15(6-3-13)27(24,25)23-9-1-8-22(10-11-23)18-21-16-7-4-14(20)12-17(16)26-18/h2-7,12H,1,8-11H2