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

Systemtic Name: 6-chloranyl-2-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole CAS Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole IUPAC Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole Traditional Name: 2-(4-besyl-1,4-diazepan-1-yl)-6-chloro-1,3-benzothiazole Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S2/c19-14-7-8-16-17(13-14)25-18(20-16)21-9-4-10-22(12-11-21)26(23,24)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2