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

Systemtic Name: tert-butyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H26ClN3O4S/c1-17(2,3)25-16(22)21-12-10-20(11-13-21)9-8-19-26(23,24)15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3/p+1