tert-butyl (2R)-4-(4-aminophenyl)sulfonylpiperazin-1-ium-2-carboxylate

Systemtic Name: tert-butyl (2R)-4-(4-aminophenyl)sulfonylpiperazin-1-ium-2-carboxylate Openeye Name: tert-butyl (2R)-4-(4-aminophenyl)sulfonylpiperazin-1-ium-2-carboxylate CAS Name: (2R)-4-(4-aminophenyl)sulfonyl-2-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-(4-aminophenyl)sulfonylpiperazin-1-ium-2-carboxylate Traditional Name: (2R)-4-sulfanilylpiperazin-1-ium-2-carboxylic acid tert-butyl ester Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)13-10-18(9-8-17-13)23(20,21)12-6-4-11(16)5-7-12/h4-7,13,17H,8-10,16H2,1-3H3/p+1/t13-/m1/s1