2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[5-(tert-butylsulfonylamino)-1-oxopentyl]amino]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]acrylic acid 2-methylbutyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5S/c1-6-18(2)17-30-22(27)15-12-19-10-13-20(14-11-19)25-21(26)9-7-8-16-24-31(28,29)23(3,4)5/h10-15,18,24H,6-9,16-17H2,1-5H3,(H,25,26)/b15-12+