2-bromanyl-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-[2-(1-piperidyl)ethylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[2-(1-piperidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2-piperidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-piperidinoethylsulfonyl)benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c15-13-5-4-11(10-12(13)14(17)18)21(19,20)9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18)