4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanyl-2-(4-phenylmethoxyphenyl)-3-propan-2-yloxy-cyclobut-2-en-1-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanyl-2-(4-phenylmethoxyphenyl)-3-propan-2-yloxy-cyclobut-2-en-1-one Openeye Name: 2-(4-benzyloxyphenyl)-4-hydroxy-3-isopropoxy-4-[1-(p-tolylsulfonyl)pyrrol-2-yl]cyclobut-2-en-1-one CAS Name: 4-hydroxy-4-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-2-(4-phenylmethoxyphenyl)-3-propan-2-yloxy-1-cyclobut-2-enone IUPAC Name: 4-hydroxy-4-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4-phenylmethoxyphenyl)-3-propan-2-yloxycyclobut-2-en-1-one Traditional Name: 2-(4-benzoxyphenyl)-4-hydroxy-3-isopropoxy-4-(1-tosylpyrrol-2-yl)cyclobut-2-en-1-one Formula: C31H29NO6S MolecularWeight: 543.63006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C3(C(=C(C3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)OC(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C3(C(=C(C3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)OC(C)C)O

InChI

InChI=1S/C31H29NO6S/c1-21(2)38-30-28(24-13-15-25(16-14-24)37-20-23-8-5-4-6-9-23)29(33)31(30,34)27-10-7-19-32(27)39(35,36)26-17-11-22(3)12-18-26/h4-19,21,34H,20H2,1-3H3