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

Systemtic Name: [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino] 3-azanylpropanoate Openeye Name: [1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino] 3-aminopropanoate CAS Name: 3-aminopropanoic 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-aminopropanoate Traditional Name: 3-aminopropionic acid [(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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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)CCN)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-13-8-16(26-3)9-14(2)20(13)30(24,25)22(29-19(23)6-7-21)11-15-4-5-17-18(10-15)28-12-27-17/h4-5,8-10H,6-7,11-12,21H2,1-3H3