N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-benzothiazole-6-carboxamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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)NCCC4=CN=CN4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C20H19N5O4S2/c1-29-15-3-5-16(6-4-15)31(27,28)25-20-24-17-7-2-13(10-18(17)30-20)19(26)22-9-8-14-11-21-12-23-14/h2-7,10-12H,8-9H2,1H3,(H,21,23)(H,22,26)(H,24,25)