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

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-chlorophenoxy)ethyl]-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-chlorophenoxy)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-chlorophenoxy)ethyl]-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-[2-(4-chlorophenoxy)ethyl]amine Formula: C24H25ClN4O5S MolecularWeight: 516.9971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O5S/c25-19-6-9-21(10-7-19)34-17-12-26-23-18-20(8-11-24(23)29(30)31)27-13-15-28(16-14-27)35(32,33)22-4-2-1-3-5-22/h1-11,18,26H,12-17H2