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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-27(2)15-16-28(25-26-22-14-13-21(34(3,30)31)17-23(22)33-25)24(29)18-9-11-20(12-10-18)32-19-7-5-4-6-8-19/h4-14,17H,15-16H2,1-3H3