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

Systemtic Name: 5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-[4-(methylthio)phenyl]sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-[4-[4-(methylthio)phenyl]sulfonylpiperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S2/c1-34-22-8-10-23(11-9-22)35(32,33)28-17-15-27(16-18-28)21-7-12-25(29(30)31)24(19-21)26-14-13-20-5-3-2-4-6-20/h2-12,19,26H,13-18H2,1H3