2-(4-nitrophenyl)sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c24-20(15-27-18-10-8-17(9-11-18)23(25)26)21-14-19(22-12-4-5-13-22)16-6-2-1-3-7-16/h1-3,6-11,19H,4-5,12-15H2,(H,21,24)