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

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO5S2/c1-28-21(25)15-6-4-14(5-7-15)20(24)23-13-19(18-3-2-12-29-18)30(26,27)17-10-8-16(22)9-11-17/h2-12,19H,13H2,1H3,(H,23,24)