butyl 4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-(p-tolylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(tosylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H30N2O5S2/c1-4-5-18-34-27(31)21-8-10-22(11-9-21)28-26(30)20(3)35-24-14-12-23(13-15-24)29-36(32,33)25-16-6-19(2)7-17-25/h6-17,20,29H,4-5,18H2,1-3H3,(H,28,30)