N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-esyl-benzamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)C

InChI

InChI=1S/C21H24ClN3O3S2/c1-5-30(27,28)16-8-6-7-15(13-16)20(26)25(12-11-24(3)4)21-23-18-14(2)9-10-17(22)19(18)29-21/h6-10,13H,5,11-12H2,1-4H3