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

Systemtic Name: N-ethyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-ethyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-ethyl-5-(4-ethylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-ethyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-ethyl-amine Formula: C14H22N4O4S MolecularWeight: 342.41388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O4S/c1-3-15-13-11-12(5-6-14(13)18(19)20)16-7-9-17(10-8-16)23(21,22)4-2/h5-6,11,15H,3-4,7-10H2,1-2H3