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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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