2-methylbutyl (E)-3-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[5-(isopropylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-5-(propan-2-ylsulfonylamino)pentyl]amino]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[5-(isopropylsulfonylamino)pentanoylamino]phenyl]acrylic acid 2-methylbutyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCCNS(=O)(=O)C(C)C

Isomeric SMILES

CCC(C)COC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCCCNS(=O)(=O)C(C)C

InChI

InChI=1S/C22H34N2O5S/c1-5-18(4)16-29-22(26)14-11-19-9-12-20(13-10-19)24-21(25)8-6-7-15-23-30(27,28)17(2)3/h9-14,17-18,23H,5-8,15-16H2,1-4H3,(H,24,25)/b14-11+