3-nitro-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-(isopropylsulfamoyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(isopropylsulfamoyl)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-15(2)23-31(29,30)18-7-5-6-16(12-18)14-22-21(26)17-8-9-19(20(13-17)25(27)28)24-10-3-4-11-24/h5-9,12-13,15,23H,3-4,10-11,14H2,1-2H3,(H,22,26)