(2S)-2-(2-methylpropyl)-1-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: (2S)-2-(2-methylpropyl)-1-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: (2S)-2-isobutyl-1-(4-nitrophenyl)sulfonyl-piperazine CAS Name: (2S)-2-(2-methylpropyl)-1-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: (2S)-2-(2-methylpropyl)-1-(4-nitrophenyl)sulfonylpiperazine Traditional Name: (2S)-2-isobutyl-1-nosyl-piperazine Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CNCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H]1CNCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-11(2)9-13-10-15-7-8-16(13)22(20,21)14-5-3-12(4-6-14)17(18)19/h3-6,11,13,15H,7-10H2,1-2H3/t13-/m0/s1