N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-mesyl-benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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