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

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

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

Isomeric SMILES

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

InChI

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