[4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] N-phenylcarbamate

Systemtic Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] N-phenylcarbamate Openeye Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-1-cyclobut-2-enyl] ester IUPAC Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenylcyclobut-2-en-1-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [3-(4-mesylphenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-en-1-yl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(C(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H25NO4S/c1-26(2)23(19-14-16-21(17-15-19)32(3,29)30)22(18-10-6-4-7-11-18)24(26)31-25(28)27-20-12-8-5-9-13-20/h4-17,24H,1-3H3,(H,27,28)