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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-22(2)11-12-23(18(25)13-14-7-9-15(10-8-14)24(26)27)20-21-19-16(30-20)5-4-6-17(19)31(3,28)29/h4-10H,11-13H2,1-3H3