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

Systemtic Name: tert-butyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H33N3O7S MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O7S/c1-15(2)19(20(26)24-8-10-25(11-9-24)21(27)32-22(3,4)5)23-33(28,29)16-6-7-17-18(14-16)31-13-12-30-17/h6-7,14-15,19,23H,8-13H2,1-5H3/t19-/m0/s1