[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S/c1-4-17(3)18-7-9-19(10-8-18)23-21(24)15-28-22(25)13-14-29(26,27)20-11-5-16(2)6-12-20/h5-12,17H,4,13-15H2,1-3H3,(H,23,24)