tert-butyl 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(2-thienylsulfonylamino)phenyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[4-(thiophen-2-ylsulfonylamino)phenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(2-thienylsulfonylamino)phenyl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O5S2/c1-21(2,3)29-20(26)24-12-10-23(11-13-24)18(25)15-16-6-8-17(9-7-16)22-31(27,28)19-5-4-14-30-19/h4-9,14,22H,10-13,15H2,1-3H3