[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino] 3-(methylsulfonylamino)propanoate

Systemtic Name: [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino] 3-(methylsulfonylamino)propanoate Openeye Name: [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino] 3-(methanesulfonamido)propanoate CAS Name: 3-(methanesulfonamido)propanoic acid [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino] ester IUPAC Name: [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino] 3-(methanesulfonamido)propanoate Traditional Name: 3-(methanesulfonamido)propionic acid [(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino] ester Formula: C21H26N2O9S2 MolecularWeight: 514.56914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O9S2/c1-14-9-17(29-3)10-15(2)21(14)34(27,28)23(32-20(24)7-8-22-33(4,25)26)12-16-5-6-18-19(11-16)31-13-30-18/h5-6,9-11,22H,7-8,12-13H2,1-4H3