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

Systemtic Name: (E)-3-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]acrylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c1-17-7-8-19(9-10-22(24)25)16-21(17)28(26,27)23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,24,25)/b10-9+