3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide Traditional Name: N-(2,5-dimethoxybenzyl)-3-piazthiol-4-ylsulfonyl-propionamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-25-13-6-7-15(26-2)12(10-13)11-19-17(22)8-9-28(23,24)16-5-3-4-14-18(16)21-27-20-14/h3-7,10H,8-9,11H2,1-2H3,(H,19,22)