2-[3-[1-[3-[3-(4-bromophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-[3-[3-(4-bromophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[1-[3-[3-(4-bromophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl]-4-piperidyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[1-[3-[3-(4-bromophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]-4-piperidinyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[1-[3-[3-(4-bromophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[1-[3-[3-(4-bromophenyl)-5-mesyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl]-4-piperidyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C30H35BrN6O6S MolecularWeight: 687.6045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C(=NN2CC(CN3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CC(=O)O)O)C6=CC=C(C=C6)Br

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C(=NN2CC(CN3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CC(=O)O)O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C30H35BrN6O6S/c1-44(42,43)34-15-12-25-24(18-34)29(20-6-8-21(31)9-7-20)32-36(25)17-23(38)16-33-13-10-22(11-14-33)37-27-5-3-2-4-26(27)35(30(37)41)19-28(39)40/h2-9,22-23,38H,10-19H2,1H3,(H,39,40)