tert-butyl N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[4-(4-but-2-ynoxyphenyl)sulfonyl-3-(hydroxycarbamoyl)piperazino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H30N4O8S MolecularWeight: 510.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O8S/c1-5-6-13-33-16-7-9-17(10-8-16)35(31,32)26-12-11-25(15-18(26)20(28)24-30)19(27)14-23-21(29)34-22(2,3)4/h7-10,18,30H,11-15H2,1-4H3,(H,23,29)(H,24,28)