1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)C)C

InChI

InChI=1S/C26H31N3O5S/c1-15-14-16(2)18(4)23(17(15)3)35(32,33)29-12-10-20(11-13-29)26(31)34-19(5)24-27-22-9-7-6-8-21(22)25(30)28-24/h6-9,14,19-20H,10-13H2,1-5H3,(H,27,28,30)