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

Systemtic Name: 2-[(1S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazino]ethyl]-1H-quinazolin-4-one Formula: C20H20Cl2N4O3S MolecularWeight: 467.3688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O3S/c1-13(19-23-18-5-3-2-4-15(18)20(27)24-19)25-8-10-26(11-9-25)30(28,29)14-6-7-16(21)17(22)12-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,27)/t13-/m0/s1