[4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-chloro-3-(3-methylpiperidino)sulfonyl-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c1-16-4-2-9-27(15-16)31(29,30)19-14-17(5-6-18(19)22)20(28)25-10-12-26(13-11-25)21-23-7-3-8-24-21/h3,5-8,14,16H,2,4,9-13,15H2,1H3