[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O7S/c1-15(21(25)22-14-16-7-5-4-6-8-16)30-20(24)11-12-23-31(26,27)17-9-10-18(28-2)19(13-17)29-3/h4-10,13,15,23H,11-12,14H2,1-3H3,(H,22,25)