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

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

Isomeric SMILES

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

InChI

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