4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]butane-1-sulfonic acid CAS Name: 4-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-1-butanesulfonic acid IUPAC Name: 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-(1,3-benzoxazol-2-yl)piperidino]butane-1-sulfonic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)CCCCS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H22N2O4S/c19-23(20,21)12-4-3-9-18-10-7-13(8-11-18)16-17-14-5-1-2-6-15(14)22-16/h1-2,5-6,13H,3-4,7-12H2,(H,19,20,21)