N,N-dimethyl-3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N,N-dimethyl-3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-N,N-dimethyl-3-nitro-aniline CAS Name: N,N-dimethyl-3-nitro-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-N,N-dimethyl-3-nitroaniline Traditional Name: [4-(4-benzylsulfonylpiperazino)-3-nitro-phenyl]-dimethyl-amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-20(2)17-8-9-18(19(14-17)23(24)25)21-10-12-22(13-11-21)28(26,27)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3