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

Systemtic Name: methyl 4-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]thiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-[methyl(p-tolylsulfonyl)amino]thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-[methyl-(4-methylphenyl)sulfonylamino]-2-thiophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-[methyl(tosyl)amino]thiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5S2/c1-14-4-10-17(11-5-14)30(26,27)23(2)18-12-13-29-19(18)20(24)22-16-8-6-15(7-9-16)21(25)28-3/h4-13H,1-3H3,(H,22,24)