[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-3-19(4-2)23-21(25)16-29-22(26)18-10-12-20(13-11-18)24-30(27,28)15-14-17-8-6-5-7-9-17/h5-15,19,24H,3-4,16H2,1-2H3,(H,23,25)/b15-14+