3-methyl-2-[[4-[(4-propylphenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(4-propylphenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[(4-propylbenzoyl)amino]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[[oxo-(4-propylphenyl)methyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(4-propylbenzoyl)amino]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[(4-propylbenzoyl)amino]phenyl]sulfonylamino]butyric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-4-5-15-6-8-16(9-7-15)20(24)22-17-10-12-18(13-11-17)29(27,28)23-19(14(2)3)21(25)26/h6-14,19,23H,4-5H2,1-3H3,(H,22,24)(H,25,26)