N-ethyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-ethyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-ethyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-ethyl-5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-ethyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: ethyl-[5-[4-(4-fluorophenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN4O4S/c1-2-20-17-13-15(5-8-18(17)23(24)25)21-9-11-22(12-10-21)28(26,27)16-6-3-14(19)4-7-16/h3-8,13,20H,2,9-12H2,1H3