(3S)-N-(dicyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(dicyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(dicyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(dicyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(dicyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(dicyclopropylmethyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NC(C4CC4)C5CC5

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)NC(C4CC4)C5CC5

InChI

InChI=1S/C23H30N4O3S/c1-14-19-10-9-18(31(2,29)30)12-20(19)25-23(24-14)27-11-3-4-17(13-27)22(28)26-21(15-5-6-15)16-7-8-16/h9-10,12,15-17,21H,3-8,11,13H2,1-2H3,(H,26,28)/t17-/m0/s1