1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[[1-(2-methoxyethyl)-5-benzotriazolyl]sulfonyl]-N-[[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[4-(methylthio)benzyl]pyrrolidine-2-carboxamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)SC)N=N1

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)SC)N=N1

InChI

InChI=1S/C22H27N5O4S2/c1-31-13-12-26-20-10-9-18(14-19(20)24-25-26)33(29,30)27-11-3-4-21(27)22(28)23-15-16-5-7-17(32-2)8-6-16/h5-10,14,21H,3-4,11-13,15H2,1-2H3,(H,23,28)