2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-pyridylmethyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-pyridinylmethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-pyridylmethyl)-1,3-benzothiazole-6-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O4S2/c1-29-16-5-7-17(8-6-16)31(27,28)25-21-24-18-9-4-15(11-19(18)30-21)20(26)23-13-14-3-2-10-22-12-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)