(4-aminocarbonylphenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: (4-aminocarbonylphenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (4-carbamoylphenyl)methyl (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid (4-carbamoylbenzyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-15(2)19(23-29(26,27)13-12-16-6-4-3-5-7-16)21(25)28-14-17-8-10-18(11-9-17)20(22)24/h3-13,15,19,23H,14H2,1-2H3,(H2,22,24)/b13-12+/t19-/m0/s1