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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-mesyl-benzamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O3S2/c1-14-10-11-16(22)19-18(14)23-21(29-19)25(13-7-12-24(2)3)20(26)15-8-5-6-9-17(15)30(4,27)28/h5-6,8-11H,7,12-13H2,1-4H3