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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C=CC(=O)O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C16H21NO5S/c1-12-7-9-17(10-8-12)23(20,21)15-11-13(4-6-16(18)19)3-5-14(15)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/b6-4+