5-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(1-indan-5-ylsulfonylisonipecotoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C(=O)O

InChI

InChI=1S/C24H28N2O6S/c1-32-22-8-5-16(13-21(22)24(28)29)15-25-23(27)18-9-11-26(12-10-18)33(30,31)20-7-6-17-3-2-4-19(17)14-20/h5-8,13-14,18H,2-4,9-12,15H2,1H3,(H,25,27)(H,28,29)