4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-isopropoxyphenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-isopropoxybenzyl)butyramide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-16(2)30-19-9-6-17(7-10-19)14-23-22(25)5-4-12-24(31(3,26)27)18-8-11-20-21(13-18)29-15-28-20/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,23,25)