N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-mesyl-benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-5-29-18-8-6-9-19-20(18)23-22(30-19)25(15-7-14-24(2)3)21(26)16-10-12-17(13-11-16)31(4,27)28/h6,8-13H,5,7,14-15H2,1-4H3