N-[(3,4-dimethoxyphenyl)methyl]-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(methanesulfonamido)-N-veratryl-1,3-benzothiazole-6-carboxamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C)OC

InChI

InChI=1S/C18H19N3O5S2/c1-25-14-7-4-11(8-15(14)26-2)10-19-17(22)12-5-6-13-16(9-12)27-18(20-13)21-28(3,23)24/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)