(E)-3-[4-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-benzylpiperidino)sulfonyl-4-methoxy-phenyl]acrylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-28-20-9-7-18(8-10-22(24)25)16-21(20)29(26,27)23-13-11-19(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,24,25)/b10-8+