2-methoxy-6-[1-(4-methylphenyl)sulfonylindol-3-yl]oxan-4-one

Systemtic Name: 2-methoxy-6-[1-(4-methylphenyl)sulfonylindol-3-yl]oxan-4-one Openeye Name: 2-methoxy-6-[1-(p-tolylsulfonyl)indol-3-yl]tetrahydropyran-4-one CAS Name: 2-methoxy-6-[1-(4-methylphenyl)sulfonyl-3-indolyl]-4-oxanone IUPAC Name: 2-methoxy-6-[1-(4-methylphenyl)sulfonylindol-3-yl]oxan-4-one Traditional Name: 2-methoxy-6-(1-tosylindol-3-yl)tetrahydropyran-4-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)C4CC(=O)CC(O4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4CC(=O)CC(O4)OC

InChI

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