2-nitro-N-phenethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: 2-nitro-N-phenethyl-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-phenethyl-amine Formula: C24H26N4O4S MolecularWeight: 466.55264

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c29-28(30)24-12-11-21(19-23(24)25-14-13-20-7-3-1-4-8-20)26-15-17-27(18-16-26)33(31,32)22-9-5-2-6-10-22/h1-12,19,25H,13-18H2