4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4O5S/c22-21(26)17-6-8-19(20(14-17)25(27)28)23-9-11-24(12-10-23)31(29,30)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H2,22,26)