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

Systemtic Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide Openeye Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide CAS Name: 1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-[3-(methylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-[3-(methylthio)propyl]nipecotamide Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S2/c1-14-17-8-7-16(29(3,26)27)12-18(17)23-20(22-14)24-10-4-6-15(13-24)19(25)21-9-5-11-28-2/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,21,25)