[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-15(2)22-20(24)16(3)28-21(25)18-9-11-19(12-10-18)23-29(26,27)14-13-17-7-5-4-6-8-17/h4-16,23H,1-3H3,(H,22,24)/b14-13+/t16-/m0/s1