methyl 5-[[3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(mesitylsulfonylamino)-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C28H28N2O5S2 MolecularWeight: 536.66232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

InChI

InChI=1S/C28H28N2O5S2/c1-17-12-18(2)26(19(3)13-17)37(33,34)30-23(14-20-8-6-5-7-9-20)27(31)29-22-10-11-24-21(15-22)16-25(36-24)28(32)35-4/h5-13,15-16,23,30H,14H2,1-4H3,(H,29,31)