[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-methyl-5-(2-methylpiperidino)sulfonyl-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O3S/c1-17-7-8-19(31(29,30)27-11-4-3-6-18(27)2)16-20(17)21(28)25-12-14-26(15-13-25)22-23-9-5-10-24-22/h5,7-10,16,18H,3-4,6,11-15H2,1-2H3