N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-15-12-16(2)20-19(13-15)29-22(23-20)25(11-7-10-24(3)4)21(26)17-8-6-9-18(14-17)30(5,27)28/h6,8-9,12-14H,7,10-11H2,1-5H3