2-[(1S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C20H22BrN4O3S+ MolecularWeight: 478.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H21BrN4O3S/c1-14(19-22-18-8-3-2-7-17(18)20(26)23-19)24-9-11-25(12-10-24)29(27,28)16-6-4-5-15(21)13-16/h2-8,13-14H,9-12H2,1H3,(H,22,23,26)/p+1/t14-/m0/s1