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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-esyl-benzamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3S2/c1-5-31(28,29)17-9-6-8-16(14-17)21(27)26(13-7-12-25(3)4)22-24-19-15(2)10-11-18(23)20(19)30-22/h6,8-11,14H,5,7,12-13H2,1-4H3