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

Systemtic Name: (3S)-N-(3-methylbutyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-isopentyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-methylbutyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-methylbutyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-isoamyl-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-14(2)9-10-22-20(26)16-6-5-11-25(13-16)21-23-15(3)18-8-7-17(29(4,27)28)12-19(18)24-21/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3,(H,22,26)/t16-/m0/s1