2-(4-bromophenyl)sulfonylethyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: 2-brosylethyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C19H21BrN3O3S+ MolecularWeight: 451.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H20BrN3O3S/c1-2-23(11-12-27(25,26)15-9-7-14(20)8-10-15)13-18-21-17-6-4-3-5-16(17)19(24)22-18/h3-10H,2,11-13H2,1H3,(H,21,22,24)/p+1