3-[[4-[3-(3-ethoxypropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[3-(3-ethoxypropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-[3-(3-ethoxypropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[4-[3-[[(3-ethoxypropylamino)-oxomethyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-[3-(3-ethoxypropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[4-[3-(3-ethoxypropylcarbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6S/c1-2-36-17-7-16-28-27(33)29-23-11-6-10-22(18-23)20-12-14-24(15-13-20)37(34,35)30-25(19-26(31)32)21-8-4-3-5-9-21/h3-6,8-15,18,25,30H,2,7,16-17,19H2,1H3,(H,31,32)(H2,28,29,33)