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

Systemtic Name: (3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(2-methylsulfanylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(2-methylsulfanylethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-[2-(methylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(2-methylsulfanylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-[2-(methylthio)ethyl]nipecotamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S2/c1-13-16-7-6-15(28(3,25)26)11-17(16)22-19(21-13)23-9-4-5-14(12-23)18(24)20-8-10-27-2/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,20,24)/t14-/m0/s1