(3,5-dinitrophenyl)-[2-(2-phenylsulfanylpropan-2-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[2-(2-phenylsulfanylpropan-2-yl)pyrrolidin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[2-(1-methyl-1-phenylsulfanyl-ethyl)pyrrolidin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[2-[2-(phenylthio)propan-2-yl]-1-pyrrolidinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[2-(2-phenylsulfanylpropan-2-yl)pyrrolidin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[2-[1-methyl-1-(phenylthio)ethyl]pyrrolidino]methanone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C1CCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c1-20(2,29-17-7-4-3-5-8-17)18-9-6-10-21(18)19(24)14-11-15(22(25)26)13-16(12-14)23(27)28/h3-5,7-8,11-13,18H,6,9-10H2,1-2H3