3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[4-[3-[[(cyclopropylamino)-oxomethyl]amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(mesitylsulfonylamino)propionic acid Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)NC(=O)NC4CC4)C(=O)O)C

InChI

InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)