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

Systemtic Name: 2-cyano-2-[pentanoyl-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]amino]butanoate Openeye Name: 2-cyano-2-[pentanoyl-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]amino]butanoate CAS Name: 2-cyano-2-[1-oxopentyl-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]amino]butanoate IUPAC Name: 2-cyano-2-[pentanoyl-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]amino]butanoate Traditional Name: 2-cyano-2-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]-valeryl-amino]butyrate Formula: C27H33N4O6S- MolecularWeight: 541.63912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O6S/c1-4-7-12-24(32)31(27(6-3,19-28)25(33)34)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)38(36,37)30-26(35)29-17-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,33,34)(H2,29,30,35)/p-1