N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-3-mesyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S2/c1-23(2)11-6-12-24(20(25)15-7-5-8-17(13-15)30(4,26)27)21-22-18-10-9-16(28-3)14-19(18)29-21/h5,7-10,13-14H,6,11-12H2,1-4H3