N-(2-dimethylaminoethyl)-2-(3-methylphenoxy)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(3-methylphenoxy)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-(3-methylphenoxy)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-dimethylaminoethyl)-2-(3-methylphenoxy)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-(3-methylphenoxy)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S2/c1-15-7-5-8-16(13-15)28-14-19(25)24(12-11-23(2)3)21-22-20-17(29-21)9-6-10-18(20)30(4,26)27/h5-10,13H,11-12,14H2,1-4H3