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

Systemtic Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(2-methylphenoxy)ethyl]-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-[2-(2-methylphenoxy)ethyl]amine Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-20-7-5-6-10-25(20)34-18-13-26-23-19-21(11-12-24(23)29(30)31)27-14-16-28(17-15-27)35(32,33)22-8-3-2-4-9-22/h2-12,19,26H,13-18H2,1H3