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

Systemtic Name: 1-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-4-sulfonic acid Openeye Name: 1-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-sulfonic acid CAS Name: 1-[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinesulfonic acid IUPAC Name: 1-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-sulfonic acid Traditional Name: 1-[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]piperidine-4-sulfonic acid Formula: C14H15Cl2NO4S2 MolecularWeight: 396.3092

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCC(CC2)S(=O)(=O)O

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCC(CC2)S(=O)(=O)O

InChI

InChI=1S/C14H15Cl2NO4S2/c1-8(10-2-3-11(22)13(16)12(10)15)14(18)17-6-4-9(5-7-17)23(19,20)21/h2-3,9,22H,1,4-7H2,(H,19,20,21)