butan-2-yl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H25N3O6S/c1-4-12(2)27-17(23)11-16-18(24)19-9-10-21(16)28(25,26)15-7-5-14(6-8-15)20-13(3)22/h5-8,12,16H,4,9-11H2,1-3H3,(H,19,24)(H,20,22)