2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1H-quinazolin-4-one

Systemtic Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1H-quinazolin-4-one Openeye Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1H-quinazolin-4-one CAS Name: 2-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1H-quinazolin-4-one IUPAC Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1H-quinazolin-4-one Traditional Name: 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-phenyl]-1H-quinazolin-4-one Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCO)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O5S/c1-2-31-20-8-7-16(32(29,30)26-11-9-25(10-12-26)13-14-27)15-18(20)21-23-19-6-4-3-5-17(19)22(28)24-21/h3-8,15,27H,2,9-14H2,1H3,(H,23,24,28)