N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-mesyl-benzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S2/c1-5-28-15-10-11-17-18(14-15)29-21(22-17)24(13-12-23(2)3)20(25)16-8-6-7-9-19(16)30(4,26)27/h6-11,14H,5,12-13H2,1-4H3