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

Systemtic Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloranyl-1,3-benzothiazole Openeye Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole IUPAC Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole Traditional Name: 2-[4-(3-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole Formula: C18H17BrClN3O2S2 MolecularWeight: 486.83348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O2S2/c19-13-3-1-4-15(11-13)27(24,25)23-8-2-7-22(9-10-23)18-21-16-6-5-14(20)12-17(16)26-18/h1,3-6,11-12H,2,7-10H2