4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanal

Systemtic Name: 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanal Openeye Name: 4-[3-methylene-1-(p-tolylsulfonyl)indolin-2-yl]butanal CAS Name: 4-[3-methylene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanal IUPAC Name: 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanal Traditional Name: 4-(3-methylene-1-tosyl-indolin-2-yl)butyraldehyde Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15-10-12-17(13-11-15)25(23,24)21-19(8-5-6-14-22)16(2)18-7-3-4-9-20(18)21/h3-4,7,9-14,19H,2,5-6,8H2,1H3