ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O7S/c1-3-26-18(23)20-8-6-19(7-9-20)17(22)13-21(29(2,24)25)14-4-5-15-16(12-14)28-11-10-27-15/h4-5,12H,3,6-11,13H2,1-2H3