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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-3-14-22-20(24)16(2)28-21(25)18-9-11-19(12-10-18)23-29(26,27)15-13-17-7-5-4-6-8-17/h4-13,15-16,23H,3,14H2,1-2H3,(H,22,24)/b15-13+/t16-/m0/s1