2-[methyl-[3-phenyl-3-(4-thiophen-3-ylsulfonylphenoxy)propyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[3-phenyl-3-(4-thiophen-3-ylsulfonylphenoxy)propyl]amino]ethanoic acid Openeye Name: 2-[methyl-[3-phenyl-3-[4-(3-thienylsulfonyl)phenoxy]propyl]amino]acetic acid CAS Name: 2-[methyl-[3-phenyl-3-[4-(3-thiophenylsulfonyl)phenoxy]propyl]amino]acetic acid IUPAC Name: 2-[methyl-[3-phenyl-3-(4-thiophen-3-ylsulfonylphenoxy)propyl]amino]acetic acid Traditional Name: 2-[methyl-[3-phenyl-3-[4-(3-thienylsulfonyl)phenoxy]propyl]amino]acetic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CSC=C3)CC(=O)O

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CSC=C3)CC(=O)O

InChI

InChI=1S/C22H23NO5S2/c1-23(15-22(24)25)13-11-21(17-5-3-2-4-6-17)28-18-7-9-19(10-8-18)30(26,27)20-12-14-29-16-20/h2-10,12,14,16,21H,11,13,15H2,1H3,(H,24,25)