2-(butylsulfonylamino)-3-[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-oxo-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-oxo-2-[3-(2-pyridinylamino)propyl]-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-oxo-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-keto-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propionic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C24H29N3O6S/c1-2-3-13-34(31,32)27-20(24(29)30)15-17-9-10-22-19(14-17)21(28)16-18(33-22)7-6-12-26-23-8-4-5-11-25-23/h4-5,8-11,14,16,20,27H,2-3,6-7,12-13,15H2,1H3,(H,25,26)(H,29,30)