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

Systemtic Name: 5-azanyl-1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-naphthalen-2-ylsulfonyl-methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-amino-1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-(2-naphthylsulfonyl)methyl]triazole-4-carboxylic acid CAS Name: 5-amino-1-[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-(2-naphthalenylsulfonyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-amino-1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-naphthalen-2-ylsulfonylmethyl]triazole-4-carboxylic acid Traditional Name: 5-amino-1-[2-naphthylsulfonyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid Formula: C26H27N5O5S2 MolecularWeight: 553.65308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(NC2)C(N3C(=C(N=N3)C(=O)O)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(NC2)C(N3C(=C(N=N3)C(=O)O)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N5O5S2/c1-36-19-9-6-16(7-10-19)15-37-20-13-22(28-14-20)25(31-24(27)23(26(32)33)29-30-31)38(34,35)21-11-8-17-4-2-3-5-18(17)12-21/h2-12,20,22,25,28H,13-15,27H2,1H3,(H,32,33)