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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S2/c1-5-28-17-10-7-11-18-19(17)22-21(29-18)24(13-12-23(2)3)20(25)15-8-6-9-16(14-15)30(4,26)27/h6-11,14H,5,12-13H2,1-4H3