3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: N-homoveratryl-3-piazthiol-4-ylsulfonyl-propionamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)OC

InChI

InChI=1S/C19H21N3O5S2/c1-26-15-7-6-13(12-16(15)27-2)8-10-20-18(23)9-11-29(24,25)17-5-3-4-14-19(17)22-28-21-14/h3-7,12H,8-11H2,1-2H3,(H,20,23)