1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine CAS Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine Traditional Name: 1-benzylsulfonyl-4-(3-nitrobenzyl)piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c22-21(23)18-8-4-7-17(13-18)14-19-9-11-20(12-10-19)26(24,25)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2