butyl 4-[[2-phenyl-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-phenyl-2-[4-(phenylsulfonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C31H30N2O5S2 MolecularWeight: 574.7103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H30N2O5S2/c1-2-3-22-38-31(35)24-14-16-25(17-15-24)32-30(34)29(23-10-6-4-7-11-23)39-27-20-18-26(19-21-27)33-40(36,37)28-12-8-5-9-13-28/h4-21,29,33H,2-3,22H2,1H3,(H,32,34)