2-cyano-2-[pentanoyl-[[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoate

Systemtic Name: 2-cyano-2-[pentanoyl-[[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoate Openeye Name: 2-cyano-2-[pentanoyl-[[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoate CAS Name: 2-cyano-2-[1-oxopentyl-[[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoate IUPAC Name: 2-cyano-2-[pentanoyl-[[4-(2-sulfamoylphenyl)phenyl]methyl]amino]butanoate Traditional Name: 2-cyano-2-[[4-(2-sulfamoylphenyl)benzyl]-valeryl-amino]butyrate Formula: C23H26N3O5S- MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C(CC)(C#N)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C(CC)(C#N)C(=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-3-5-10-21(27)26(23(4-2,16-24)22(28)29)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)32(25,30)31/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,28,29)(H2,25,30,31)/p-1