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

Systemtic Name: N-butyl-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: N-butyl-N-methyl-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: N-butyl-N-methyl-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: N-butyl-N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: N-butyl-1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-methyl-nipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

Isomeric SMILES

CCCCN(C)C(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

InChI

InChI=1S/C21H30N4O3S/c1-5-6-11-24(3)20(26)16-8-7-12-25(14-16)21-22-15(2)18-10-9-17(29(4,27)28)13-19(18)23-21/h9-10,13,16H,5-8,11-12,14H2,1-4H3