3-(2-chlorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-(2-chlorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(2-chlorophenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(2-chlorophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(2-chlorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(2-chlorophenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H18ClNO4S2 MolecularWeight: 411.92282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C18H18ClNO4S2/c19-15-7-3-2-6-13(15)12-14(18(21)22)16-8-9-17(25-16)26(23,24)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)