(E)-3-(4-chloranyl-3-nitro-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C17H15ClN2O6S2 MolecularWeight: 442.8938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O6S2/c18-13-4-3-11(10-14(13)20(23)24)9-12(17(21)22)15-5-6-16(27-15)28(25,26)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8H2,(H,21,22)/b12-9-