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

Systemtic Name: 2-(aminomethyl)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3,3-dimethyl-butanoate Openeye Name: 2-(aminomethyl)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3,3-dimethyl-butanoate CAS Name: 2-(aminomethyl)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3,3-dimethylbutanoate IUPAC Name: 2-(aminomethyl)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3,3-dimethylbutanoate Traditional Name: 2-(aminomethyl)-2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]-3,3-dimethyl-butyrate Formula: C24H31N2O7S- MolecularWeight: 491.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CN)(C(=O)[O-])C(C)(C)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CN)(C(=O)[O-])C(C)(C)C)C)OC

InChI

InChI=1S/C24H32N2O7S/c1-15-9-18(31-6)10-16(2)21(15)34(29,30)26(24(13-25,22(27)28)23(3,4)5)12-17-7-8-19-20(11-17)33-14-32-19/h7-11H,12-14,25H2,1-6H3,(H,27,28)/p-1