methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-morpholinosulfonylbenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-morpholinosulfonylbenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N2O6S2/c1-28-21(25)19-18(16-4-2-3-5-17(16)30-19)22-20(24)14-6-8-15(9-7-14)31(26,27)23-10-12-29-13-11-23/h2-9H,10-13H2,1H3,(H,22,24)