2-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid

Systemtic Name: 2-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid Openeye Name: 2-[(4-pentoxy-1-naphthyl)sulfonylamino]benzoic acid CAS Name: 2-[(4-pentoxy-1-naphthalenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-amoxy-1-naphthyl)sulfonylamino]benzoic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23NO5S/c1-2-3-8-15-28-20-13-14-21(17-10-5-4-9-16(17)20)29(26,27)23-19-12-7-6-11-18(19)22(24)25/h4-7,9-14,23H,2-3,8,15H2,1H3,(H,24,25)