2-(phenylsulfonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]methylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]methylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]methylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-piperazinyl]phenyl]methylamino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]methylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazino]benzyl]amino]propionic acid Formula: C24H32N6O4S MolecularWeight: 500.61368

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)N2CCN(CC2)C3=CC=C(C=C3)CNCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=NC1)N2CCN(CC2)C3=CC=C(C=C3)CNCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H32N6O4S/c31-23(32)22(28-35(33,34)21-5-2-1-3-6-21)18-25-17-19-7-9-20(10-8-19)29-13-15-30(16-14-29)24-26-11-4-12-27-24/h1-3,5-10,22,25,28H,4,11-18H2,(H,26,27)(H,31,32)