3-[(4-butoxynaphthalen-1-yl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-butoxynaphthalen-1-yl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-butoxy-1-naphthyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-butoxy-1-naphthalenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-butoxynaphthalen-1-yl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-butoxy-1-naphthyl)sulfonylamino]benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-2-3-13-27-19-11-12-20(18-10-5-4-9-17(18)19)28(25,26)22-16-8-6-7-15(14-16)21(23)24/h4-12,14,22H,2-3,13H2,1H3,(H,23,24)