4-chloranyl-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-nitro-benzamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O5S/c1-3-25(4-2)32(30,31)16-8-10-19(24-11-5-6-12-24)18(14-16)23-21(27)15-7-9-17(22)20(13-15)26(28)29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,27)