N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-2-mesyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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