N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-[(2R,6R)-2,6-dimethylpiperidino]sulfonylphenyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=C(C3=O)C=CC=C4C)C

InChI

InChI=1S/C26H32N4O4S/c1-18-7-4-10-23-25(18)27-17-29(26(23)32)16-6-11-24(31)28-21-12-14-22(15-13-21)35(33,34)30-19(2)8-5-9-20(30)3/h4,7,10,12-15,17,19-20H,5-6,8-9,11,16H2,1-3H3,(H,28,31)/t19-,20-/m1/s1