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

Systemtic Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCC#N

InChI

InChI=1S/C17H14N4O4S2/c1-25-12-3-5-13(6-4-12)27(23,24)21-17-20-14-7-2-11(10-15(14)26-17)16(22)19-9-8-18/h2-7,10H,9H2,1H3,(H,19,22)(H,20,21)