[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CC2)C

InChI

InChI=1S/C16H22N2O5S/c1-11-3-6-14(9-12(11)2)24(21,22)17-8-7-16(20)23-10-15(19)18-13-4-5-13/h3,6,9,13,17H,4-5,7-8,10H2,1-2H3,(H,18,19)