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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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