2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]pyrrolidin-2-yl]carbonyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]pyrrolidin-2-yl]carbonyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]pyrrolidine-2-carbonyl]thiazole-4-carboxylic acid CAS Name: 2-[[3-[(4-butylphenyl)methyl-methylsulfonylamino]-2-pyrrolidinyl]-oxomethyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[(4-butylphenyl)methyl-methylsulfonylamino]pyrrolidine-2-carbonyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[(4-butylbenzyl)-mesyl-amino]prolyl]thiazole-4-carboxylic acid Formula: C21H27N3O5S2 MolecularWeight: 465.58618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(C2CCNC2C(=O)C3=NC(=CS3)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(C2CCNC2C(=O)C3=NC(=CS3)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-3-4-5-14-6-8-15(9-7-14)12-24(31(2,28)29)17-10-11-22-18(17)19(25)20-23-16(13-30-20)21(26)27/h6-9,13,17-18,22H,3-5,10-12H2,1-2H3,(H,26,27)