2-[1-[(2-oxidanylidene-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(2-oxidanylidene-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(2-keto-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidyl]acetic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC(=O)O)OC1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC(=O)O)OC1=O

InChI

InChI=1S/C17H22N2O6S/c1-2-7-19-14-4-3-13(11-15(14)25-17(19)22)26(23,24)18-8-5-12(6-9-18)10-16(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,20,21)