butyl 4-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S2/c1-2-3-17-32-25(29)19-9-11-20(12-10-19)26-24(28)18-33-22-15-13-21(14-16-22)27-34(30,31)23-7-5-4-6-8-23/h4-16,27H,2-3,17-18H2,1H3,(H,26,28)