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

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

Isomeric SMILES

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

InChI

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