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

Systemtic Name: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7S/c1-13(2)18(20(24)27-3)21-19(23)14-6-8-22(9-7-14)30(25,26)15-4-5-16-17(12-15)29-11-10-28-16/h4-5,12-14,18H,6-11H2,1-3H3,(H,21,23)/t18-/m1/s1