N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(pyrimidin-2-ylamino)butanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(pyrimidin-2-ylamino)butanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(pyrimidin-2-ylamino)butanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(2-pyrimidinylamino)butanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(pyrimidin-2-ylamino)butanamide Traditional Name: 4-(2-pyrimidylamino)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]butyramide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCNC3=NC=CC=N3

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCNC3=NC=CC=N3

InChI

InChI=1S/C18H22N6O3S/c25-17(8-3-10-20-18-21-11-4-12-22-18)23-14-5-1-6-15(13-14)28(26,27)24-16-7-2-9-19-16/h1,4-6,11-13H,2-3,7-10H2,(H,19,24)(H,23,25)(H,20,21,22)