(E)-1-methoxy-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxidanyl-pent-1-en-3-one

Systemtic Name: (E)-1-methoxy-5-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxidanyl-pent-1-en-3-one Openeye Name: (E)-5-hydroxy-1-methoxy-5-[1-(p-tolylsulfonyl)indol-3-yl]pent-1-en-3-one CAS Name: (E)-5-hydroxy-1-methoxy-5-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-penten-3-one IUPAC Name: (E)-5-hydroxy-1-methoxy-5-[1-(4-methylphenyl)sulfonylindol-3-yl]pent-1-en-3-one Traditional Name: (E)-5-hydroxy-1-methoxy-5-(1-tosylindol-3-yl)pent-1-en-3-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC(=O)C=COC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC(=O)/C=C/OC)O

InChI

InChI=1S/C21H21NO5S/c1-15-7-9-17(10-8-15)28(25,26)22-14-19(18-5-3-4-6-20(18)22)21(24)13-16(23)11-12-27-2/h3-12,14,21,24H,13H2,1-2H3/b12-11+