tert-butyl 4-[3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[5-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[5-(besylmethyl)-2-furoyl]amino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O6S/c1-24(2,3)33-23(29)27-16-14-26(15-17-27)13-7-12-25-22(28)21-11-10-19(32-21)18-34(30,31)20-8-5-4-6-9-20/h4-6,8-11H,7,12-18H2,1-3H3,(H,25,28)