2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxy-quinazoline

Systemtic Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxy-quinazoline Openeye Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(cyclohexoxy)quinazoline CAS Name: 2-[1-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-cyclohexyloxyquinazoline IUPAC Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-cyclohexyloxyquinazoline Traditional Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazino]ethyl]-4-(cyclohexoxy)quinazoline Formula: C30H40N4O3S MolecularWeight: 536.7286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)OC5CCCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)OC5CCCCC5

InChI

InChI=1S/C30H40N4O3S/c1-3-4-10-24-15-17-26(18-16-24)38(35,36)34-21-19-33(20-22-34)23(2)29-31-28-14-9-8-13-27(28)30(32-29)37-25-11-6-5-7-12-25/h8-9,13-18,23,25H,3-7,10-12,19-22H2,1-2H3