1-methylsulfonyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-(2-oxolanylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-1-mesyl-N-(tetrahydrofurfuryl)isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O5S/c1-31(28,29)25-10-8-15(9-11-25)21(27)24(13-16-5-4-12-30-16)14-19-22-18-7-3-2-6-17(18)20(26)23-19/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,22,23,26)