N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-quinoxalinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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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=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H21N5O3S2/c1-25(2)10-11-26(20(27)14-4-6-16-18(12-14)23-9-8-22-16)21-24-17-7-5-15(31(3,28)29)13-19(17)30-21/h4-9,12-13H,10-11H2,1-3H3