6-bromanyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-6-bromo-quinazolin-4-one CAS Name: 3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-6-bromoquinazolin-4-one Traditional Name: 3-[2-(4-besylpiperazino)-2-keto-ethyl]-6-bromo-quinazolin-4-one Formula: C20H19BrN4O4S MolecularWeight: 491.35826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4O4S/c21-15-6-7-18-17(12-15)20(27)24(14-22-18)13-19(26)23-8-10-25(11-9-23)30(28,29)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2