3-methyl-2-[2-morpholin-4-ylethyl-[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonyl-amino]butanoic acid

Systemtic Name: 3-methyl-2-[2-morpholin-4-ylethyl-[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonyl-amino]butanoic acid Openeye Name: 3-methyl-2-[2-morpholinoethyl-[4-[(4-pentylbenzoyl)amino]phenyl]sulfonyl-amino]butanoic acid CAS Name: 3-methyl-2-[2-(4-morpholinyl)ethyl-[4-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[2-morpholin-4-ylethyl-[4-[(4-pentylbenzoyl)amino]phenyl]sulfonylamino]butanoic acid Traditional Name: 2-[[4-[(4-amylbenzoyl)amino]phenyl]sulfonyl-(2-morpholinoethyl)amino]-3-methyl-butyric acid Formula: C29H41N3O6S MolecularWeight: 559.71734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(C(C)C)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(C(C)C)C(=O)O

InChI

InChI=1S/C29H41N3O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(33)30-25-12-14-26(15-13-25)39(36,37)32(27(22(2)3)29(34)35)17-16-31-18-20-38-21-19-31/h8-15,22,27H,4-7,16-21H2,1-3H3,(H,30,33)(H,34,35)