2-[4-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid CAS Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid IUPAC Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Traditional Name: 2-[4-[1-(benzenesulfonamido)-3-keto-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)CC(C2=CC=C(C=C2)OCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)CC(C2=CC=C(C=C2)OCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O6S/c30-26(28-18-8-7-11-21-9-3-1-4-10-21)19-25(29-36(33,34)24-12-5-2-6-13-24)22-14-16-23(17-15-22)35-20-27(31)32/h1-6,9-10,12-17,25,29H,7-8,11,18-20H2,(H,28,30)(H,31,32)