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

Systemtic Name: 2-[(1S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C20H22ClN4O3S+ MolecularWeight: 433.93168

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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-14(19-22-18-5-3-2-4-17(18)20(26)23-19)24-10-12-25(13-11-24)29(27,28)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,23,26)/p+1/t14-/m0/s1