N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(2-pyrimidinylsulfamoyl)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H21N5O5S2/c27-20(16-5-3-6-19(15-16)33(30,31)26-13-1-2-14-26)24-17-7-9-18(10-8-17)32(28,29)25-21-22-11-4-12-23-21/h3-12,15H,1-2,13-14H2,(H,24,27)(H,22,23,25)