phenylsulfonylamino 3-[cyclopropylmethyl-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonyl-amino]propanoate

Systemtic Name: phenylsulfonylamino 3-[cyclopropylmethyl-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonyl-amino]propanoate Openeye Name: benzenesulfonamido 3-[cyclopropylmethyl-[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[cyclopropylmethyl-[oxo-[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[cyclopropylmethyl-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[cyclopropylmethyl-[4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C29H34N6O5S MolecularWeight: 578.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CCC(=O)ONS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCC(CC4)NC5=NC=CC=N5

Isomeric SMILES

C1CC1CN(CCC(=O)ONS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCC(CC4)NC5=NC=CC=N5

InChI

InChI=1S/C29H34N6O5S/c36-27(40-33-41(38,39)26-5-2-1-3-6-26)15-20-35(21-22-7-8-22)28(37)23-9-11-25(12-10-23)34-18-13-24(14-19-34)32-29-30-16-4-17-31-29/h1-6,9-12,16-17,22,24,33H,7-8,13-15,18-21H2,(H,30,31,32)