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

Systemtic Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]-3-methyl-butyrate Formula: C19H25N2O7S- MolecularWeight: 425.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7S/c1-12(2)17(19(23)24)20-18(22)13-5-7-21(8-6-13)29(25,26)14-3-4-15-16(11-14)28-10-9-27-15/h3-4,11-13,17H,5-10H2,1-2H3,(H,20,22)(H,23,24)/p-1/t17-/m0/s1