2-nitro-N-phenethyl-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: 2-nitro-N-phenethyl-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline CAS Name: 2-nitro-N-phenethyl-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-phenethylaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-phenethyl-amine Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c30-29(31)25-12-11-23(19-24(25)26-14-13-21-7-3-1-4-8-21)27-15-17-28(18-16-27)34(32,33)20-22-9-5-2-6-10-22/h1-12,19,26H,13-18,20H2