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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperonyl-amino]-3-methyl-butyric acid Formula: C23H29NO7S MolecularWeight: 463.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO7S/c1-13(2)21(23(25)26)24(11-17-7-8-18-20(10-17)31-12-30-18)32(27,28)22-14(3)9-19(29-6)15(4)16(22)5/h7-10,13,21H,11-12H2,1-6H3,(H,25,26)