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

Systemtic Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(methylsulfonylamino)propanoate Openeye Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(methanesulfonamido)propanoate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(methanesulfonamido)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(methanesulfonamido)propanoate Traditional Name: 3-(methanesulfonamido)-2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]propionic acid tert-butyl ester Formula: C25H34N2O9S2 MolecularWeight: 570.67546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O9S2/c1-16-10-19(33-6)11-17(2)23(16)38(31,32)27(14-18-8-9-21-22(12-18)35-15-34-21)20(13-26-37(7,29)30)24(28)36-25(3,4)5/h8-12,20,26H,13-15H2,1-7H3