2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1-benzotriazolyl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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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)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N6O3S2/c1-24(2)10-11-25(19(27)13-26-17-7-5-4-6-15(17)22-23-26)20-21-16-9-8-14(31(3,28)29)12-18(16)30-20/h4-9,12H,10-11,13H2,1-3H3