3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinazolin-4-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinazolin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinazolin-4-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonylquinazolin-4-one Traditional Name: 3-[2-keto-2-(4-piperonylpiperazino)ethyl]-6-(4-methylpiperidino)sulfonyl-quinazolin-4-one Formula: C28H33N5O6S MolecularWeight: 567.65652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H33N5O6S/c1-20-6-8-33(9-7-20)40(36,37)22-3-4-24-23(15-22)28(35)32(18-29-24)17-27(34)31-12-10-30(11-13-31)16-21-2-5-25-26(14-21)39-19-38-25/h2-5,14-15,18,20H,6-13,16-17,19H2,1H3