1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C23H20N4O5S3 MolecularWeight: 528.6237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H20N4O5S3/c28-22(15-33-23-24-20-8-6-18(27(29)30)14-21(20)34-23)25-9-11-26(12-10-25)35(31,32)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2