4-[4-[[3-(cyclopropylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[[3-(cyclopropylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[[3-(cyclopropylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[[3-[[(cyclopropylamino)-oxomethyl]amino]phenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[[3-(cyclopropylcarbamoylamino)phenyl]methoxy]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[3-(cyclopropylcarbamoylamino)benzyl]oxyphenyl]sulfonyl-3-phenyl-butyric acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=CC(=C2)COC3=CC=C(C=C3)S(=O)(=O)CC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)NC2=CC=CC(=C2)COC3=CC=C(C=C3)S(=O)(=O)CC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c30-26(31)16-21(20-6-2-1-3-7-20)18-36(33,34)25-13-11-24(12-14-25)35-17-19-5-4-8-23(15-19)29-27(32)28-22-9-10-22/h1-8,11-15,21-22H,9-10,16-18H2,(H,30,31)(H2,28,29,32)