1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-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:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H24ClN3O5S/c1-15(21-25-19-9-5-4-8-17(19)22(28)26-21)32-23(29)16-10-11-18(24)20(14-16)33(30,31)27-12-6-2-3-7-13-27/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,25,26,28)