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

Systemtic Name: (E)-3-(3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-nitrophenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-nitrophenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H16N2O6S2/c20-17(21)14(11-12-4-3-5-13(10-12)19(22)23)15-6-7-16(26-15)27(24,25)18-8-1-2-9-18/h3-7,10-11H,1-2,8-9H2,(H,20,21)/b14-11-