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

Systemtic Name: (3S)-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-propan-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-isopropyl-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-propan-2-yl-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-isopropyl-1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-methyl-nipecotamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-13(2)23(4)19(25)15-7-6-10-24(12-15)20-21-14(3)17-9-8-16(28(5,26)27)11-18(17)22-20/h8-9,11,13,15H,6-7,10,12H2,1-5H3/t15-/m0/s1