4-chloranyl-3-(2-piperidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-piperidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-[2-(1-piperidyl)ethylsulfonyl]benzoic acid CAS Name: 4-chloro-3-[2-(1-piperidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(2-piperidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(2-piperidinoethylsulfonyl)benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H18ClNO4S/c15-12-5-4-11(14(17)18)10-13(12)21(19,20)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18)