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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c1-4-29-12-6-10-22-20(26)16-7-5-11-25(14-16)21-23-15(2)18-9-8-17(30(3,27)28)13-19(18)24-21/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,26)/t16-/m0/s1