4-chloranyl-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C17H15Cl2N3O5S MolecularWeight: 444.2891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O5S/c18-13-5-3-11(9-15(13)22(24)25)17(23)20-12-4-6-14(19)16(10-12)28(26,27)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,23)