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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-3-mesyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-15-8-5-11-18-19(15)22-21(28-18)24(13-7-12-23(2)3)20(25)16-9-6-10-17(14-16)29(4,26)27/h5-6,8-11,14H,7,12-13H2,1-4H3