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

Systemtic Name: methyl 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-indan-5-ylsulfonylisonipecotoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H28N2O5S2/c1-30-22(26)15-20(21-6-3-13-31-21)24-23(27)17-9-11-25(12-10-17)32(28,29)19-8-7-16-4-2-5-18(16)14-19/h3,6-8,13-14,17,20H,2,4-5,9-12,15H2,1H3,(H,24,27)