tert-butyl 4-[[3-(methylsulfonylamino)phenyl]methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(methylsulfonylamino)phenyl]methylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[3-(methanesulfonamido)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(methanesulfonamido)benzyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C18H28N4O5S/c1-18(2,3)27-17(24)22-10-8-21(9-11-22)16(23)19-13-14-6-5-7-15(12-14)20-28(4,25)26/h5-7,12,20H,8-11,13H2,1-4H3,(H,19,23)