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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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