N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-mesyl-benzamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-14-12-18-19(13-15(14)2)28-21(22-18)24(11-10-23(3)4)20(25)16-6-8-17(9-7-16)29(5,26)27/h6-9,12-13H,10-11H2,1-5H3