[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H24N2O7S/c1-27-17-9-8-16(12-18(17)28-2)30(25,26)22-11-10-20(24)29-14-19(23)21-13-15-6-4-3-5-7-15/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,21,23)