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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-mesyl-benzamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O4S2/c1-24(2)11-6-12-25(20(26)14-7-5-8-15(13-14)31(4,27)28)21-23-18-17(29-3)10-9-16(22)19(18)30-21/h5,7-10,13H,6,11-12H2,1-4H3