1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-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 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C23H24ClN3O5S/c1-14-6-5-11-27(13-14)33(30,31)20-12-16(9-10-18(20)24)23(29)32-15(2)21-25-19-8-4-3-7-17(19)22(28)26-21/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H,25,26,28)