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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 2-nitro-N-phenethyl-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [2-nitro-5-(4-tosylpiperazino)phenyl]-phenethyl-amine Formula: C25H28N4O4S MolecularWeight: 480.57922

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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-])NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-20-7-10-23(11-8-20)34(32,33)28-17-15-27(16-18-28)22-9-12-25(29(30)31)24(19-22)26-14-13-21-5-3-2-4-6-21/h2-12,19,26H,13-18H2,1H3