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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-(4-chloro-3-nitro-phenyl)-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-(4-chloro-3-nitrophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-(4-chloro-3-nitrophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-(4-chloro-3-nitro-phenyl)-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C18H17ClN2O6S2 MolecularWeight: 456.92038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6S2/c19-14-5-4-12(11-15(14)21(24)25)10-13(18(22)23)16-6-7-17(28-16)29(26,27)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,22,23)