2-[4-bromanyl-2-methoxycarbonyl-5-[3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]amino]phenyl]thiophen-3-yl]oxyethanoic acid

Systemtic Name: 2-[4-bromanyl-2-methoxycarbonyl-5-[3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]amino]phenyl]thiophen-3-yl]oxyethanoic acid Openeye Name: 2-[[5-[3-[(1-benzylsulfonyl-4-piperidyl)amino]phenyl]-4-bromo-2-methoxycarbonyl-3-thienyl]oxy]acetic acid CAS Name: 2-[[4-bromo-2-methoxycarbonyl-5-[3-[[1-(phenylmethyl)sulfonyl-4-piperidinyl]amino]phenyl]-3-thiophenyl]oxy]acetic acid IUPAC Name: 2-[5-[3-[(1-benzylsulfonylpiperidin-4-yl)amino]phenyl]-4-bromo-2-methoxycarbonylthiophen-3-yl]oxyacetic acid Traditional Name: 2-[[5-[3-[(1-benzylsulfonyl-4-piperidyl)amino]phenyl]-4-bromo-2-carbomethoxy-3-thienyl]oxy]acetic acid Formula: C26H27BrN2O7S2 MolecularWeight: 623.53578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)C2=CC(=CC=C2)NC3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)Br)OCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)C2=CC(=CC=C2)NC3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)Br)OCC(=O)O

InChI

InChI=1S/C26H27BrN2O7S2/c1-35-26(32)25-23(36-15-21(30)31)22(27)24(37-25)18-8-5-9-20(14-18)28-19-10-12-29(13-11-19)38(33,34)16-17-6-3-2-4-7-17/h2-9,14,19,28H,10-13,15-16H2,1H3,(H,30,31)