[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C20H31N3O6S/c1-14(2)11-23(12-15(3)4)19(25)13-29-20(26)10-21-30(27,28)18-8-6-17(7-9-18)22-16(5)24/h6-9,14-15,21H,10-13H2,1-5H3,(H,22,24)