methyl 4-[[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(2-thienyl)-2-tosyl-ethyl]carbamoyl]benzoic acid methyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C22H21NO5S2/c1-15-5-11-18(12-6-15)30(26,27)20(19-4-3-13-29-19)14-23-21(24)16-7-9-17(10-8-16)22(25)28-2/h3-13,20H,14H2,1-2H3,(H,23,24)