1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H29N3O5S/c1-15-9-11-28(12-10-15)34(31,32)22-14-19(13-16(2)17(22)3)25(30)33-18(4)23-26-21-8-6-5-7-20(21)24(29)27-23/h5-8,13-15,18H,9-12H2,1-4H3,(H,26,27,29)