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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Traditional Name: N-homoveratryl-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-26-15-7-4-12(10-16(15)27-2)8-9-20-18(23)13-5-6-14-17(11-13)28-19(21-14)22-29(3,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22)