N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C22H29ClN6O3S MolecularWeight: 493.02206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29ClN6O3S/c1-17(27-12-14-28(15-13-27)22-24-8-5-9-25-22)21(30)26-20-16-18(6-7-19(20)23)33(31,32)29-10-3-2-4-11-29/h5-9,16-17H,2-4,10-15H2,1H3,(H,26,30)