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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-esyl-benzamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3C)Cl

InChI

InChI=1S/C22H26ClN3O3S2/c1-5-31(28,29)18-9-6-8-16(13-18)21(27)26(11-7-10-25(3)4)22-24-20-15(2)12-17(23)14-19(20)30-22/h6,8-9,12-14H,5,7,10-11H2,1-4H3