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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-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=C3S(=O)(=O)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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