(E)-3-[4-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(phenylcarbamoyl)piperidino]sulfonylphenyl]acrylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-20(25)11-8-16-6-9-19(10-7-16)29(27,28)23-14-12-17(13-15-23)21(26)22-18-4-2-1-3-5-18/h1-11,17H,12-15H2,(H,22,26)(H,24,25)/b11-8+