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

Systemtic Name: (E)-3-[4-methoxy-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-(3-methylpiperidino)sulfonyl-phenyl]acrylic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-12-4-3-9-17(11-12)23(20,21)15-10-13(6-8-16(18)19)5-7-14(15)22-2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,18,19)/b8-6+