[2-[(phenylmethyl)carbamoylamino]phenyl]sulfonyl 3-(3-azanyl-2-phenyl-phenyl)propanoate

Systemtic Name: [2-[(phenylmethyl)carbamoylamino]phenyl]sulfonyl 3-(3-azanyl-2-phenyl-phenyl)propanoate Openeye Name: [2-(benzylcarbamoylamino)phenyl]sulfonyl 3-(3-amino-2-phenyl-phenyl)propanoate CAS Name: 3-(3-amino-2-phenylphenyl)propanoic acid [2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]sulfonyl ester IUPAC Name: [2-(benzylcarbamoylamino)phenyl]sulfonyl 3-(3-amino-2-phenylphenyl)propanoate Traditional Name: 3-(3-amino-2-phenyl-phenyl)propionic acid [2-(benzylcarbamoylamino)phenyl]sulfonyl ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2S(=O)(=O)OC(=O)CCC3=C(C(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2S(=O)(=O)OC(=O)CCC3=C(C(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O5S/c30-24-15-9-14-23(28(24)22-12-5-2-6-13-22)18-19-27(33)37-38(35,36)26-17-8-7-16-25(26)32-29(34)31-20-21-10-3-1-4-11-21/h1-17H,18-20,30H2,(H2,31,32,34)