3-ethoxy-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]benzoic acid

Systemtic Name: 3-ethoxy-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]benzoic acid Openeye Name: 3-ethoxy-4-[4-[3-(isopropylsulfonylamino)-2-thienyl]phenyl]benzoic acid CAS Name: 3-ethoxy-4-[4-[3-(propan-2-ylsulfonylamino)-2-thiophenyl]phenyl]benzoic acid IUPAC Name: 3-ethoxy-4-[4-[3-(propan-2-ylsulfonylamino)thiophen-2-yl]phenyl]benzoic acid Traditional Name: 3-ethoxy-4-[4-[3-(isopropylsulfonylamino)-2-thienyl]phenyl]benzoic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)C3=C(C=CS3)NS(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)C3=C(C=CS3)NS(=O)(=O)C(C)C

InChI

InChI=1S/C22H23NO5S2/c1-4-28-20-13-17(22(24)25)9-10-18(20)15-5-7-16(8-6-15)21-19(11-12-29-21)23-30(26,27)14(2)3/h5-14,23H,4H2,1-3H3,(H,24,25)