(3S)-N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C24H27FN4O3S MolecularWeight: 470.559583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCCC4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)NCCC4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN4O3S/c1-16-21-9-8-20(33(2,31)32)14-22(21)28-24(27-16)29-12-4-6-18(15-29)23(30)26-11-10-17-5-3-7-19(25)13-17/h3,5,7-9,13-14,18H,4,6,10-12,15H2,1-2H3,(H,26,30)/t18-/m0/s1