4-[4-[3-[1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chloranyl-benzoic acid

Systemtic Name: 4-[4-[3-[1-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chloranyl-benzoic acid Openeye Name: 4-[4-[3-[1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-4-piperidyl]propyl]-1-piperidyl]-3-chloro-benzoic acid CAS Name: 4-[4-[3-[1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-piperidinyl]propyl]-1-piperidinyl]-3-chlorobenzoic acid IUPAC Name: 4-[4-[3-[1-(5-bromo-6-chloropyridin-3-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chlorobenzoic acid Traditional Name: 4-[4-[3-[1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-4-piperidyl]propyl]piperidino]-3-chloro-benzoic acid Formula: C25H30BrCl2N3O4S MolecularWeight: 619.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC2CCN(CC2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br)C4=C(C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1CN(CCC1CCCC2CCN(CC2)S(=O)(=O)C3=CC(=C(N=C3)Cl)Br)C4=C(C=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C25H30BrCl2N3O4S/c26-21-15-20(16-29-24(21)28)36(34,35)31-12-8-18(9-13-31)3-1-2-17-6-10-30(11-7-17)23-5-4-19(25(32)33)14-22(23)27/h4-5,14-18H,1-3,6-13H2,(H,32,33)