3-(3-methoxyphenyl)-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]quinazolin-4-one Formula: C26H24N4O6S2 MolecularWeight: 552.62196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O6S2/c1-36-19-9-7-8-18(16-19)29-25(31)21-10-3-4-11-22(21)27-26(29)37-24-13-12-20(17-23(24)30(32)33)38(34,35)28-14-5-2-6-15-28/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3