(3S)-N-(2,2-dimethyl-3-oxidanyl-propyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,2-dimethyl-3-oxidanyl-propyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-hydroxy-2,2-dimethyl-propyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-hydroxy-2,2-dimethyl-propyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c1-14-17-8-7-16(30(4,28)29)10-18(17)24-20(23-14)25-9-5-6-15(11-25)19(27)22-12-21(2,3)13-26/h7-8,10,15,26H,5-6,9,11-13H2,1-4H3,(H,22,27)/t15-/m0/s1