methyl (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H24N2O7S/c1-12(18(22)25-2)19-17(21)13-5-7-20(8-6-13)28(23,24)14-3-4-15-16(11-14)27-10-9-26-15/h3-4,11-13H,5-10H2,1-2H3,(H,19,21)/t12-/m0/s1