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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonyl-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-ethylsulfonylbenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-esyl-benzamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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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(S2)C=CC=C3Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

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