2-bromanyl-5-(4-phenylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(4-phenylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(4-phenyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4-phenyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(4-phenylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(4-phenylpiperidino)sulfonyl-benzoic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO4S/c19-17-7-6-15(12-16(17)18(21)22)25(23,24)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,21,22)