N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H33N3O6S2/c1-7-32-18-15-17(16-19(33-8-2)23(18)34-9-3)24(29)28(14-13-27(4)5)25-26-22-20(35-25)11-10-12-21(22)36(6,30)31/h10-12,15-16H,7-9,13-14H2,1-6H3