2-(2,4-dimethylphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde

Systemtic Name: 2-(2,4-dimethylphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde Openeye Name: 2-(2,4-dimethylphenyl)-5-morpholinosulfonyl-1H-indole-3-carbaldehyde CAS Name: 2-(2,4-dimethylphenyl)-5-(4-morpholinylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(2,4-dimethylphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde Traditional Name: 2-(2,4-dimethylphenyl)-5-morpholinosulfonyl-1H-indole-3-carbaldehyde Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C=O)C

InChI

InChI=1S/C21H22N2O4S/c1-14-3-5-17(15(2)11-14)21-19(13-24)18-12-16(4-6-20(18)22-21)28(25,26)23-7-9-27-10-8-23/h3-6,11-13,22H,7-10H2,1-2H3