1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O5S/c1-15-10-11-17(14-20(15)32(29,30)26-12-6-3-7-13-26)23(28)31-16(2)21-24-19-9-5-4-8-18(19)22(27)25-21/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,24,25,27)