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

Systemtic Name: phenylsulfonylamino 3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoate Openeye Name: benzenesulfonamido 3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[cyclopropylmethyl-[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[cyclopropylmethyl-[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C28H32N6O5S MolecularWeight: 564.65588

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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)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1CN(CCC(=O)ONS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H32N6O5S/c35-26(39-31-40(37,38)25-5-2-1-3-6-25)13-16-34(21-22-7-8-22)27(36)23-9-11-24(12-10-23)32-17-19-33(20-18-32)28-29-14-4-15-30-28/h1-6,9-12,14-15,22,31H,7-8,13,16-21H2