tert-butyl (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate CAS Name: (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-tert-butyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: (3S)-3-tert-butyl-4-nosyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C19H29N3O6S/c1-18(2,3)16-13-20(17(23)28-19(4,5)6)11-12-21(16)29(26,27)15-9-7-14(8-10-15)22(24)25/h7-10,16H,11-13H2,1-6H3/t16-/m1/s1