N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-nitro-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-nitrobenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-nitro-benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5S/c18-14-8-7-12(11-16(14)27(25,26)20-9-3-4-10-20)19-17(22)13-5-1-2-6-15(13)21(23)24/h1-2,5-8,11H,3-4,9-10H2,(H,19,22)