tert-butyl 4-[2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]-methyl-amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31FN4O6S MolecularWeight: 486.557443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN(C)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN(C)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H31FN4O6S/c1-21(2,3)32-20(29)26-12-10-25(11-13-26)19(28)14-23(4)18(27)15-24(5)33(30,31)17-8-6-16(22)7-9-17/h6-9H,10-15H2,1-5H3