5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline Openeye Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-phenethylaniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-phenethylaniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-phenethyl-amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S/c1-28(26,27)22-13-11-21(12-14-22)17-7-8-19(23(24)25)18(15-17)20-10-9-16-5-3-2-4-6-16/h2-8,15,20H,9-14H2,1H3