propan-2-yl 4-[[5-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazin-2-yl]methyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[[5-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazin-2-yl]methyl-methyl-amino]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[5-(2-fluoro-4-methylsulfonyl-phenyl)pyrazin-2-yl]methyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[5-(2-fluoro-4-methylsulfonylphenyl)-2-pyrazinyl]methyl-methylamino]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(2-fluoro-4-methylsulfonylphenyl)pyrazin-2-yl]methyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-(2-fluoro-4-mesyl-phenyl)pyrazin-2-yl]methyl-methyl-amino]piperidine-1-carboxylic acid isopropyl ester Formula: C22H29FN4O4S MolecularWeight: 464.553463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N(C)CC2=NC=C(N=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N(C)CC2=NC=C(N=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H29FN4O4S/c1-15(2)31-22(28)27-9-7-17(8-10-27)26(3)14-16-12-25-21(13-24-16)19-6-5-18(11-20(19)23)32(4,29)30/h5-6,11-13,15,17H,7-10,14H2,1-4H3