butyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[(4-chlorobenzyl)-mesyl-amino]benzothiophene-2-carbonyl]amino]benzoic acid butyl ester Formula: C28H27ClN2O5S2 MolecularWeight: 571.10738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C28H27ClN2O5S2/c1-3-4-15-36-28(33)20-7-11-23(12-8-20)30-27(32)26-17-21-16-24(13-14-25(21)37-26)31(38(2,34)35)18-19-5-9-22(29)10-6-19/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,32)