1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-sulfonic acid

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-sulfonic acid Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-sulfonic acid CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinesulfonic acid IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-sulfonic acid Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperidine-4-sulfonic acid Formula: C14H16N2O6S2 MolecularWeight: 372.41664

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(CC2)S(=O)(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(CC2)S(=O)(=O)O

InChI

InChI=1S/C14H16N2O6S2/c1-9(10-2-3-13(23)12(8-10)16(18)19)14(17)15-6-4-11(5-7-15)24(20,21)22/h2-3,8,11,23H,1,4-7H2,(H,20,21,22)