N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetamide Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H26N2O7S/c1-31-21-11-9-20(15-23(21)32-2)35(29,30)27(13-12-18-6-4-3-5-7-18)16-25(28)26-19-8-10-22-24(14-19)34-17-33-22/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,26,28)