3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-2-keto-ethyl]quinazolin-4-one Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H30N4O4S/c31-25(18-29-19-27-24-9-5-4-8-23(24)26(29)32)28-14-16-30(17-15-28)35(33,34)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h4-5,8-13,19-20H,1-3,6-7,14-18H2