4,4-dimethoxy-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one

Systemtic Name: 4,4-dimethoxy-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one Openeye Name: 4,4-dimethoxy-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]butan-1-one CAS Name: 4,4-dimethoxy-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-butanone IUPAC Name: 4,4-dimethoxy-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one Traditional Name: 4,4-dimethoxy-1-(1-tosylpyrrol-3-yl)butan-1-one Formula: C17H21NO5S MolecularWeight: 351.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC(OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC(OC)OC

InChI

InChI=1S/C17H21NO5S/c1-13-4-6-15(7-5-13)24(20,21)18-11-10-14(12-18)16(19)8-9-17(22-2)23-3/h4-7,10-12,17H,8-9H2,1-3H3