2-(phenylsulfonylamino)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)octanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)octanoic acid Openeye Name: 2-(benzenesulfonamido)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)octanoic acid CAS Name: 2-(benzenesulfonamido)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)octanoic acid IUPAC Name: 2-(benzenesulfonamido)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)octanoic acid Traditional Name: 2-(benzenesulfonamido)-8-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)caprylic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCCCCCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCCCCCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c26-22(27)20(25-30(28,29)19-11-5-3-6-12-19)13-7-2-1-4-10-18-15-14-17-9-8-16-23-21(17)24-18/h3,5-6,11-12,14-15,20,25H,1-2,4,7-10,13,16H2,(H,23,24)(H,26,27)