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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-mesyl-benzamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22ClN3O3S2/c1-23(2)11-4-12-24(20-22-17-10-7-15(21)13-18(17)28-20)19(25)14-5-8-16(9-6-14)29(3,26)27/h5-10,13H,4,11-12H2,1-3H3