methyl 4-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-3-methyl-1-oxo-2-[[(E)-2-phenylethenyl]sulfonylamino]butoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25NO6S/c1-16(2)20(23-30(26,27)14-13-17-7-5-4-6-8-17)22(25)29-15-18-9-11-19(12-10-18)21(24)28-3/h4-14,16,20,23H,15H2,1-3H3/b14-13+/t20-/m0/s1