(3S)-N-[(2R)-1-methoxybutan-2-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-1-methoxybutan-2-yl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(1R)-1-(methoxymethyl)propyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-1-methoxybutan-2-yl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-1-methoxybutan-2-yl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-[(1R)-1-(methoxymethyl)propyl]nipecotamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

Isomeric SMILES

CC[C@H](COC)NC(=O)[C@H]1CCCN(C1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

InChI

InChI=1S/C21H30N4O4S/c1-5-16(13-29-3)23-20(26)15-7-6-10-25(12-15)21-22-14(2)18-9-8-17(30(4,27)28)11-19(18)24-21/h8-9,11,15-16H,5-7,10,12-13H2,1-4H3,(H,23,26)/t15-,16+/m0/s1