N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O4S/c1-16-9-10-17(32(30,31)27-13-5-2-6-14-27)15-20(16)25-22(28)12-11-21-24-19-8-4-3-7-18(19)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)(H,24,26,29)