tert-butyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(p-tolylsulfonylamino)methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(tosylamino)methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O4S/c1-18-5-11-21(12-6-18)31(28,29)24-17-19-7-9-20(10-8-19)25-13-15-26(16-14-25)22(27)30-23(2,3)4/h5-12,24H,13-17H2,1-4H3