1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-naphthalen-2-ylsulfonyl-methyl]-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-naphthalen-2-ylsulfonyl-methyl]-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-(2-naphthylsulfonyl)methyl]-5-methyl-triazole-4-carboxylic acid CAS Name: 1-[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-(2-naphthalenylsulfonyl)methyl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-naphthalen-2-ylsulfonylmethyl]-5-methyltriazole-4-carboxylic acid Traditional Name: 5-methyl-1-[2-naphthylsulfonyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid Formula: C27H28N4O5S2 MolecularWeight: 552.66502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C27H28N4O5S2/c1-17-25(27(32)33)29-30-31(17)26(38(34,35)23-12-9-19-5-3-4-6-20(19)13-23)24-14-22(15-28-24)37-16-18-7-10-21(36-2)11-8-18/h3-13,22,24,26,28H,14-16H2,1-2H3,(H,32,33)