2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N7O3S/c30-21(17-28-12-14-29(15-13-28)22-24-10-5-11-25-22)26-18-6-4-7-19(16-18)33(31,32)27-20-8-2-1-3-9-23-20/h4-7,10-11,16H,1-3,8-9,12-15,17H2,(H,23,27)(H,26,30)