N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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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=C3Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O3S/c21-18-6-2-1-5-17(18)19(23-11-3-4-12-23)13-22-20(25)14-28-16-9-7-15(8-10-16)24(26)27/h1-2,5-10,19H,3-4,11-14H2,(H,22,25)