[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)CCNS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5S/c1-17(20(24)22-14-7-2-3-8-15-22)27-19(23)11-13-21-28(25,26)16-12-18-9-5-4-6-10-18/h4-6,9-10,12,16-17,21H,2-3,7-8,11,13-15H2,1H3/b16-12+/t17-/m1/s1