[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H23ClN2O5S MolecularWeight: 390.88222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C16H23ClN2O5S/c1-4-13(5-2)18-15(20)11-24-16(21)10-19(25(3,22)23)14-8-6-7-12(17)9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,20)