3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonyl-propyl-amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonyl-propyl-amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonyl-propyl-amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(1-methyl-4-pyrazolyl)sulfonyl-propylamino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonyl-propylamino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonyl-propyl-amino]propionic acid Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CC1=CC=C(C=C1)OC(=O)N(C)C)C(=O)O)S(=O)(=O)C2=CN(N=C2)C

Isomeric SMILES

CCCN(C(CC1=CC=C(C=C1)OC(=O)N(C)C)C(=O)O)S(=O)(=O)C2=CN(N=C2)C

InChI

InChI=1S/C19H26N4O6S/c1-5-10-23(30(27,28)16-12-20-22(4)13-16)17(18(24)25)11-14-6-8-15(9-7-14)29-19(26)21(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,24,25)