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

Systemtic Name: N-[(2S)-butan-2-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-[(1S)-1-methylpropyl]isonipecotamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

InChI

InChI=1S/C20H28N4O3S/c1-5-13(2)21-19(25)15-8-10-24(11-9-15)20-22-14(3)17-7-6-16(28(4,26)27)12-18(17)23-20/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,21,25)/t13-/m0/s1