[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)16-6-8-17(9-7-16)24-19(25)14-29-20(26)13-23-30(27,28)18-10-4-15(12-22)5-11-18/h4-11,23H,13-14H2,1-3H3,(H,24,25)