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

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-(4-brosylpiperazino)-2-nitro-phenyl]amine Formula: C23H23BrN4O4S MolecularWeight: 531.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O4S/c24-19-6-9-21(10-7-19)33(31,32)27-14-12-26(13-15-27)20-8-11-23(28(29)30)22(16-20)25-17-18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2