2,6-ditert-butyl-4-[(E)-2-[[4-(quinazolin-4-ylamino)phenyl]methylsulfonyl]ethenyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(E)-2-[[4-(quinazolin-4-ylamino)phenyl]methylsulfonyl]ethenyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(E)-2-[[4-(quinazolin-4-ylamino)phenyl]methylsulfonyl]vinyl]phenol CAS Name: 2,6-ditert-butyl-4-[(E)-2-[[4-(4-quinazolinylamino)phenyl]methylsulfonyl]ethenyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(E)-2-[[4-(quinazolin-4-ylamino)phenyl]methylsulfonyl]ethenyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(E)-2-[4-(quinazolin-4-ylamino)benzyl]sulfonylvinyl]phenol Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CS(=O)(=O)CC2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/S(=O)(=O)CC2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C31H35N3O3S/c1-30(2,3)25-17-22(18-26(28(25)35)31(4,5)6)15-16-38(36,37)19-21-11-13-23(14-12-21)34-29-24-9-7-8-10-27(24)32-20-33-29/h7-18,20,35H,19H2,1-6H3,(H,32,33,34)/b16-15+