5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Openeye Name: 2-nitro-N-(2-phenoxyethyl)-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(2-phenoxyethyl)aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline Traditional Name: [2-nitro-5-(4-tosylpiperazino)phenyl]-(2-phenoxyethyl)amine Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=CC=C4

InChI

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