2-[3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-[(E)-styryl]sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-[(E)-2-phenylethenyl]sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-[(E)-styryl]sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C=CC2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C21H23NO4S/c23-21(24)15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)27(25,26)13-11-17-6-2-1-3-7-17/h1-4,6-9,11,13-14,20H,5,10,12,15-16H2,(H,23,24)/b13-11+