ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O7S/c1-3-25-17(22)19-8-6-18(7-9-19)16(21)11-20(28(2,23)24)13-4-5-14-15(10-13)27-12-26-14/h4-5,10H,3,6-9,11-12H2,1-2H3