6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinazolin-4-one CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonylquinazolin-4-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-quinazolin-4-one Formula: C27H33N5O4S MolecularWeight: 523.64702

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O4S/c1-21-9-11-32(12-10-21)37(35,36)23-7-8-25-24(17-23)27(34)31(20-28-25)19-26(33)30-15-13-29(14-16-30)18-22-5-3-2-4-6-22/h2-8,17,20-21H,9-16,18-19H2,1H3