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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(1-p-phenetylethyl)butyramide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-4-28-19-10-7-17(8-11-19)16(2)23-22(25)6-5-13-24(31(3,26)27)18-9-12-20-21(14-18)30-15-29-20/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,23,25)