3-bromanyl-4-(2-ethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(2-ethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[(2-ethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-bromo-4-[(2-ethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(2-ethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2-ethylpiperidino)sulfonyl-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H18BrNO4S/c1-2-11-5-3-4-8-16(11)21(19,20)13-7-6-10(14(17)18)9-12(13)15/h6-7,9,11H,2-5,8H2,1H3,(H,17,18)