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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-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=C3)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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