cyclohexyl-[3-[[4-(3-methylbutanoylamino)phenyl]sulfonylamino]-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: cyclohexyl-[3-[[4-(3-methylbutanoylamino)phenyl]sulfonylamino]-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: cyclohexyl-[2-hydroxy-3-[[4-(3-methylbutanoylamino)phenyl]sulfonylamino]chromen-4-ylidene]ammonium CAS Name: cyclohexyl-[2-hydroxy-3-[[4-[(3-methyl-1-oxobutyl)amino]phenyl]sulfonylamino]-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclohexyl-[2-hydroxy-3-[[4-(3-methylbutanoylamino)phenyl]sulfonylamino]chromen-4-ylidene]azanium Traditional Name: cyclohexyl-[2-hydroxy-3-[[4-(isovalerylamino)phenyl]sulfonylamino]chromen-4-ylidene]ammonium Formula: C26H32N3O5S+ MolecularWeight: 498.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCCC4)O

InChI

InChI=1S/C26H31N3O5S/c1-17(2)16-23(30)27-19-12-14-20(15-13-19)35(32,33)29-25-24(28-18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-26(25)31/h6-7,10-15,17-18,29,31H,3-5,8-9,16H2,1-2H3,(H,27,30)/p+1