[6-[3-(4-chloranylphenoxy)propanoylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-dibenzofuran-2-yl-sulfonyl-azanium

Systemtic Name: [6-[3-(4-chloranylphenoxy)propanoylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-dibenzofuran-2-yl-sulfonyl-azanium Openeye Name: [1-carboxy-5-[3-(4-chlorophenoxy)propanoylamino]pentyl]-dibenzofuran-2-yl-sulfonyl-ammonium CAS Name: [6-[[3-(4-chlorophenoxy)-1-oxopropyl]amino]-1-hydroxy-1-oxohexan-2-yl]-(2-dibenzofuranyl)-sulfonylammonium IUPAC Name: [6-[3-(4-chlorophenoxy)propanoylamino]-1-hydroxy-1-oxohexan-2-yl]-dibenzofuran-2-yl-sulfonylazanium Traditional Name: [1-carboxy-5-[3-(4-chlorophenoxy)propanoylamino]pentyl]-dibenzofuran-2-yl-sulfonyl-ammonium Formula: C27H26ClN2O7S+ MolecularWeight: 558.02254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)[N+](=S(=O)=O)C(CCCCNC(=O)CCOC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)[N+](=S(=O)=O)C(CCCCNC(=O)CCOC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C27H25ClN2O7S/c28-18-8-11-20(12-9-18)36-16-14-26(31)29-15-4-3-6-23(27(32)33)30(38(34)35)19-10-13-25-22(17-19)21-5-1-2-7-24(21)37-25/h1-2,5,7-13,17,23H,3-4,6,14-16H2,(H-,29,31,32,33)/p+1