1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C18H21N3O5S2 MolecularWeight: 423.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c22-18(9-3-5-15-6-4-14-27-15)19-10-12-20(13-11-19)28(25,26)17-8-2-1-7-16(17)21(23)24/h1-2,4,6-8,14H,3,5,9-13H2