N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,7-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=C2C(=C(C=C1)C)SC(=N2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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