phenyl (2R)-2-azanyl-3-[4-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]phenyl]propanoate

Systemtic Name: phenyl (2R)-2-azanyl-3-[4-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]phenyl]propanoate Openeye Name: phenyl (2R)-2-amino-3-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]propanoate CAS Name: (2R)-2-amino-3-[4-[2-(4-sulfamoylanilino)-4-pyrimidinyl]phenyl]propanoic acid phenyl ester IUPAC Name: phenyl (2R)-2-amino-3-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]propanoate Traditional Name: (2R)-2-amino-3-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]propionic acid phenyl ester Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C(CC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)[C@@H](CC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C25H23N5O4S/c26-22(24(31)34-20-4-2-1-3-5-20)16-17-6-8-18(9-7-17)23-14-15-28-25(30-23)29-19-10-12-21(13-11-19)35(27,32)33/h1-15,22H,16,26H2,(H2,27,32,33)(H,28,29,30)/t22-/m1/s1