N,N-dimethyl-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N,N-dimethyl-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitro-aniline CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N,N-dimethyl-3-nitroaniline IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline Traditional Name: [4-(4-besylpiperazino)-3-nitro-phenyl]-dimethyl-amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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