2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]-3-methyl-butyric acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(C(C)C)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(C(C)C)C(=O)O)C)OC

InChI

InChI=1S/C22H27NO7S/c1-13(2)20(22(24)25)23(11-16-6-7-18-19(10-16)30-12-29-18)31(26,27)21-14(3)8-17(28-5)9-15(21)4/h6-10,13,20H,11-12H2,1-5H3,(H,24,25)