N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O5S2/c19-16-8-3-13(11-17(16)29(26,27)21-9-1-2-10-21)20-18(23)12-28-15-6-4-14(5-7-15)22(24)25/h3-8,11H,1-2,9-10,12H2,(H,20,23)