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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H18BrNO4S/c1-2-10-4-3-7-16(9-10)21(19,20)13-6-5-11(14(17)18)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)