4-[5-(methylamino)pentoxy]-3-(phenylsulfonyl)benzoic acid

Systemtic Name: 4-[5-(methylamino)pentoxy]-3-(phenylsulfonyl)benzoic acid Openeye Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzoic acid CAS Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzoic acid IUPAC Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzoic acid Traditional Name: 3-besyl-4-[5-(methylamino)pentoxy]benzoic acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNCCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO5S/c1-20-12-6-3-7-13-25-17-11-10-15(19(21)22)14-18(17)26(23,24)16-8-4-2-5-9-16/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3,(H,21,22)