tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-(p-tolylsulfonylamino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(tosylamino)ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H29N3O4S/c1-15-5-7-16(8-6-15)26(23,24)19-9-10-20-11-13-21(14-12-20)17(22)25-18(2,3)4/h5-8,19H,9-14H2,1-4H3/p+1