2-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4-nitrophenyl)thio]acetyl]piperazino]-1-pyrrolidino-ethanone Formula: C18H24N4O4S MolecularWeight: 392.47256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S/c23-17(20-7-1-2-8-20)13-19-9-11-21(12-10-19)18(24)14-27-16-5-3-15(4-6-16)22(25)26/h3-6H,1-2,7-14H2