3-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[4-(3-pyridinylmethylthio)phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-(3-pyridylmethylthio)phenyl]-4-pyrrolidino-benzamide Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O3S/c28-23(18-5-10-21(22(14-18)27(29)30)26-12-1-2-13-26)25-19-6-8-20(9-7-19)31-16-17-4-3-11-24-15-17/h3-11,14-15H,1-2,12-13,16H2,(H,25,28)