N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N6O3S/c1-4-27(5-2)31(29,30)19-9-7-18(8-10-19)17(3)24-21(28)26-15-13-25(14-16-26)20-22-11-6-12-23-20/h6-12,17H,4-5,13-16H2,1-3H3,(H,24,28)/t17-/m0/s1