N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C22H29ClN6O3S MolecularWeight: 493.02206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29ClN6O3S/c23-19-7-6-18(33(31,32)29-10-3-1-2-4-11-29)16-20(19)26-21(30)17-27-12-14-28(15-13-27)22-24-8-5-9-25-22/h5-9,16H,1-4,10-15,17H2,(H,26,30)