5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-phenethyl-amine Formula: C24H25BrN4O4S MolecularWeight: 545.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H25BrN4O4S/c25-20-6-9-22(10-7-20)34(32,33)28-16-14-27(15-17-28)21-8-11-24(29(30)31)23(18-21)26-13-12-19-4-2-1-3-5-19/h1-11,18,26H,12-17H2