ethyl 3-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]thiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[3-[methyl(p-tolylsulfonyl)amino]thiophene-2-carbonyl]amino]benzoate CAS Name: 3-[[[3-[methyl-(4-methylphenyl)sulfonylamino]-2-thiophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carbonyl]amino]benzoate Traditional Name: 3-[[3-[methyl(tosyl)amino]thiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)N(C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)N(C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O5S2/c1-4-29-22(26)16-6-5-7-17(14-16)23-21(25)20-19(12-13-30-20)24(3)31(27,28)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,23,25)