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

Systemtic Name: (E)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-methylpiperidino)sulfonylphenyl]acrylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-12-3-2-10-16(11-12)21(19,20)14-7-4-13(5-8-14)6-9-15(17)18/h4-9,12H,2-3,10-11H2,1H3,(H,17,18)/b9-6+