2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrole-3-carbaldehyde

Systemtic Name: 2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrole-3-carbaldehyde Openeye Name: 2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrole-3-carbaldehyde CAS Name: 2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolecarboxaldehyde IUPAC Name: 2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrole-3-carbaldehyde Traditional Name: 2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrole-3-carbaldehyde Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=O

InChI

InChI=1S/C21H27N3O4S/c1-16-13-18(15-25)17(2)24(16)21-14-19(5-6-20(21)22-7-3-4-8-22)29(26,27)23-9-11-28-12-10-23/h5-6,13-15H,3-4,7-12H2,1-2H3