ethyl 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H30N2O7S/c1-4-28-21(25)15-7-9-23(10-8-15)20(24)19(14(2)3)22-31(26,27)16-5-6-17-18(13-16)30-12-11-29-17/h5-6,13-15,19,22H,4,7-12H2,1-3H3/t19-/m0/s1