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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=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)CC(C(=O)OC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

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