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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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