2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-1,3-benzothiazole

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-1,3-benzothiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-1,3-benzothiazole CAS Name: 2-[3-(1-azepanylsulfonyl)-4-chlorophenyl]-1,3-benzothiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-1,3-benzothiazole Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-1,3-benzothiazole Formula: C19H19ClN2O2S2 MolecularWeight: 406.94936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H19ClN2O2S2/c20-15-10-9-14(19-21-16-7-3-4-8-17(16)25-19)13-18(15)26(23,24)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2