1-[(3-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-bromobenzyl)-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4S/c18-15-5-3-4-14(12-15)13-19-8-10-20(11-9-19)26(24,25)17-7-2-1-6-16(17)21(22)23/h1-7,12H,8-11,13H2