2-(4-methoxy-3-methyl-phenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde CAS Name: 2-(4-methoxy-3-methylphenyl)-5-(1-pyrrolidinylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(4-methoxy-3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-5-pyrrolidinosulfonyl-1H-indole-3-carbaldehyde Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCC4)C=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCC4)C=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-14-11-15(5-8-20(14)27-2)21-18(13-24)17-12-16(6-7-19(17)22-21)28(25,26)23-9-3-4-10-23/h5-8,11-13,22H,3-4,9-10H2,1-2H3