4-[[4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-(4-benzyloxycarbonylpiperazin-1-yl)phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-(4-phenylmethoxycarbonyl-1-piperazinyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-(4-carbobenzoxypiperazino)phenyl]sulfonylamino]butyric acid Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O6S/c26-21(27)7-4-12-23-32(29,30)20-10-8-19(9-11-20)24-13-15-25(16-14-24)22(28)31-17-18-5-2-1-3-6-18/h1-3,5-6,8-11,23H,4,7,12-17H2,(H,26,27)