1-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-piperidin-1-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-piperidin-1-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-1-piperidyl]sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenyl-1-piperidinyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(o-anisoylamino)methyl]-4-phenyl-piperidino]sulfonylproline Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)S(=O)(=O)N3CCCC3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)S(=O)(=O)N3CCCC3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O6S/c1-34-22-12-6-5-10-20(22)23(29)26-18-25(19-8-3-2-4-9-19)13-16-27(17-14-25)35(32,33)28-15-7-11-21(28)24(30)31/h2-6,8-10,12,21H,7,11,13-18H2,1H3,(H,26,29)(H,30,31)