N-ethyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-ethyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-ethyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-ethyl-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-ethyl-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-ethyl-amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-2-19-17-14-15(8-9-18(17)22(23)24)20-10-12-21(13-11-20)27(25,26)16-6-4-3-5-7-16/h3-9,14,19H,2,10-13H2,1H3