[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H23NO5S/c1-15-7-11-18(12-8-15)28(25,26)14-13-19(23)27-20(16-5-3-2-4-6-16)21(24)22-17-9-10-17/h2-8,11-12,17,20H,9-10,13-14H2,1H3,(H,22,24)