(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H25N3O5S MolecularWeight: 479.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H25N3O5S/c26-24(29)23(19-8-3-1-4-9-19)33-25(30)20-10-7-13-22(18-20)34(31,32)28-16-14-27(15-17-28)21-11-5-2-6-12-21/h1-13,18,23H,14-17H2,(H2,26,29)