4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-ethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-ethoxyphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-ethoxyphenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-ethoxyphenyl)methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-ethoxyphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-ethoxybenzyl)butyramide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-3-27-18-7-4-6-16(12-18)14-22-21(24)8-5-11-23(30(2,25)26)17-9-10-19-20(13-17)29-15-28-19/h4,6-7,9-10,12-13H,3,5,8,11,14-15H2,1-2H3,(H,22,24)