methyl 4-[4-piperidin-1-ylsulfonyl-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]phenoxy]benzoate

Systemtic Name: methyl 4-[4-piperidin-1-ylsulfonyl-2-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]phenoxy]benzoate Openeye Name: methyl 4-[4-(1-piperidylsulfonyl)-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenoxy]benzoate CAS Name: 4-[2-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-piperidin-1-ylsulfonyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenoxy]benzoate Traditional Name: 4-[4-piperidinosulfonyl-2-[[(2S)-1-(2-thenoyl)prolyl]amino]phenoxy]benzoic acid methyl ester Formula: C29H31N3O7S2 MolecularWeight: 597.70234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4CCCN4C(=O)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)[C@@H]4CCCN4C(=O)C5=CC=CS5

InChI

InChI=1S/C29H31N3O7S2/c1-38-29(35)20-9-11-21(12-10-20)39-25-14-13-22(41(36,37)31-15-3-2-4-16-31)19-23(25)30-27(33)24-7-5-17-32(24)28(34)26-8-6-18-40-26/h6,8-14,18-19,24H,2-5,7,15-17H2,1H3,(H,30,33)/t24-/m0/s1