N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-ethylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-esyl-benzamide Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C22H26ClN3O4S2/c1-5-32(28,29)18-10-7-6-9-15(18)21(27)26(14-8-13-25(2)3)22-24-19-17(30-4)12-11-16(23)20(19)31-22/h6-7,9-12H,5,8,13-14H2,1-4H3