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

Systemtic Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H29N3O7S/c1-4-28-20(25)23-9-7-22(8-10-23)19(24)18(14(2)3)21-31(26,27)15-5-6-16-17(13-15)30-12-11-29-16/h5-6,13-14,18,21H,4,7-12H2,1-3H3/t18-/m0/s1