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

Systemtic Name: methyl 2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]-2-methyl-propanoate CAS Name: 2-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[(1-indan-5-ylsulfonylisonipecotoyl)amino]-2-methyl-propionic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H28N2O5S/c1-20(2,19(24)27-3)21-18(23)15-9-11-22(12-10-15)28(25,26)17-8-7-14-5-4-6-16(14)13-17/h7-8,13,15H,4-6,9-12H2,1-3H3,(H,21,23)