5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-N-phenethylaniline Traditional Name: [5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C28H28N4O4S MolecularWeight: 516.61132

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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)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H28N4O4S/c33-32(34)28-13-11-25(21-27(28)29-15-14-22-6-2-1-3-7-22)30-16-18-31(19-17-30)37(35,36)26-12-10-23-8-4-5-9-24(23)20-26/h1-13,20-21,29H,14-19H2