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

Systemtic Name: methyl 4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(1-indan-5-ylsulfonylisonipecotoyl)amino]methyl]benzoic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-31-24(28)20-7-5-17(6-8-20)16-25-23(27)19-11-13-26(14-12-19)32(29,30)22-10-9-18-3-2-4-21(18)15-22/h5-10,15,19H,2-4,11-14,16H2,1H3,(H,25,27)