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

Systemtic Name: (E)-3-(3-nitrophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-nitrophenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-(3-nitrophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-nitrophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-nitrophenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C18H18N2O6S2/c21-18(22)15(12-13-5-4-6-14(11-13)20(23)24)16-7-8-17(27-16)28(25,26)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)/b15-12-