2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(esyl)amino]-N-(1-p-phenetylethyl)acetamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

InChI

InChI=1S/C21H26N2O6S/c1-4-27-18-9-6-16(7-10-18)15(3)22-21(24)13-23(30(25,26)5-2)17-8-11-19-20(12-17)29-14-28-19/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24)