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

Systemtic Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline Openeye Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-phenethylaniline IUPAC Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-phenethylaniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-phenethyl-amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-2-29(27,28)23-14-12-22(13-15-23)18-8-9-20(24(25)26)19(16-18)21-11-10-17-6-4-3-5-7-17/h3-9,16,21H,2,10-15H2,1H3