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

Systemtic Name: butyl 4-[[5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid butyl ester Formula: C29H30N2O5S2 MolecularWeight: 550.6889

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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)C)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)C)S(=O)(=O)C

InChI

InChI=1S/C29H30N2O5S2/c1-4-5-16-36-29(33)22-10-12-24(13-11-22)30-28(32)27-18-23-17-25(14-15-26(23)37-27)31(38(3,34)35)19-21-8-6-20(2)7-9-21/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,30,32)