2-(methylsulfonylamino)-N-[2-(pyridin-4-ylcarbonylamino)ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(methylsulfonylamino)-N-[2-(pyridin-4-ylcarbonylamino)ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(methanesulfonamido)-N-[2-(pyridine-4-carbonylamino)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(methanesulfonamido)-N-[2-[[oxo(pyridin-4-yl)methyl]amino]ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(methanesulfonamido)-N-[2-(pyridine-4-carbonylamino)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-isonicotinamidoethyl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCNC(=O)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5O4S2/c1-28(25,26)22-17-21-13-3-2-12(10-14(13)27-17)16(24)20-9-8-19-15(23)11-4-6-18-7-5-11/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,24)(H,21,22)