6-chloranyl-2-[4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 6-chloranyl-2-[4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 6-chloro-2-[4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 6-chloro-2-[4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 6-chloro-2-[4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 6-chloro-2-[4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C20H21Cl2N3O2S2 MolecularWeight: 470.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H21Cl2N3O2S2/c1-13-11-19(14(2)10-16(13)22)29(26,27)25-7-3-6-24(8-9-25)20-23-17-5-4-15(21)12-18(17)28-20/h4-5,10-12H,3,6-9H2,1-2H3