2-[(4-pentoxy-3-propan-2-yl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[(4-pentoxy-3-propan-2-yl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(3-isopropyl-4-pentoxy-phenyl)sulfonylamino]benzoic acid CAS Name: 2-[(4-pentoxy-3-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-pentoxy-3-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-amoxy-3-isopropyl-phenyl)sulfonylamino]benzoic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)C(C)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)C(C)C

InChI

InChI=1S/C21H27NO5S/c1-4-5-8-13-27-20-12-11-16(14-18(20)15(2)3)28(25,26)22-19-10-7-6-9-17(19)21(23)24/h6-7,9-12,14-15,22H,4-5,8,13H2,1-3H3,(H,23,24)