4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)sulfonyl-5-pyrrolidin-1-yl-1,3-thiazole

Systemtic Name: 4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)sulfonyl-5-pyrrolidin-1-yl-1,3-thiazole Openeye Name: 2-benzylsulfonyl-4-(p-tolylsulfonyl)-5-pyrrolidin-1-yl-thiazole CAS Name: 4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)sulfonyl-5-(1-pyrrolidinyl)thiazole IUPAC Name: 2-benzylsulfonyl-4-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-1,3-thiazole Traditional Name: 2-benzylsulfonyl-5-pyrrolidino-4-tosyl-thiazole Formula: C21H22N2O4S3 MolecularWeight: 462.60538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)CC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)CC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C21H22N2O4S3/c1-16-9-11-18(12-10-16)30(26,27)19-20(23-13-5-6-14-23)28-21(22-19)29(24,25)15-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3