5-[(2S,5S)-5-(5-methanoyl-1H-pyrrol-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-1H-pyrrole-2-carbaldehyde

Systemtic Name: 5-[(2S,5S)-5-(5-methanoyl-1H-pyrrol-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-1H-pyrrole-2-carbaldehyde Openeye Name: 5-[(2S,5S)-5-(5-formyl-1H-pyrrol-2-yl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole-2-carbaldehyde CAS Name: 5-[(2S,5S)-5-(5-formyl-1H-pyrrol-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-1H-pyrrole-2-carboxaldehyde IUPAC Name: 5-[(2S,5S)-5-(5-formyl-1H-pyrrol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole-2-carbaldehyde Traditional Name: 5-[(2S,5S)-5-(5-formyl-1H-pyrrol-2-yl)-1-tosyl-pyrrolidin-2-yl]-1H-pyrrole-2-carbaldehyde Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(N3)C=O)C4=CC=C(N4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC[C@H]2C3=CC=C(N3)C=O)C4=CC=C(N4)C=O

InChI

InChI=1S/C21H21N3O4S/c1-14-2-6-17(7-3-14)29(27,28)24-20(18-8-4-15(12-25)22-18)10-11-21(24)19-9-5-16(13-26)23-19/h2-9,12-13,20-23H,10-11H2,1H3/t20-,21-/m0/s1