N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-4-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-4-esyl-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H25N3O5S3 MolecularWeight: 495.6353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O5S3/c1-5-32(28,29)16-8-6-15(7-9-16)20(25)24(13-12-23(2)3)21-22-18-11-10-17(31(4,26)27)14-19(18)30-21/h6-11,14H,5,12-13H2,1-4H3