3-[4-[3,5-bis(chloranyl)pyridin-4-yl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[3,5-bis(chloranyl)pyridin-4-yl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(3,5-dichloro-4-pyridyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(3,5-dichloro-4-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(3,5-dichloropyridin-4-yl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(3,5-dichloro-4-pyridyl)piperazino]sulfonylbenzoic acid Formula: C16H15Cl2N3O4S MolecularWeight: 416.279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15Cl2N3O4S/c17-13-9-19-10-14(18)15(13)20-4-6-21(7-5-20)26(24,25)12-3-1-2-11(8-12)16(22)23/h1-3,8-10H,4-7H2,(H,22,23)