methyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-morpholinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-morpholinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N2O6S2/c1-28-21(25)18-16-7-2-3-8-17(16)30-20(18)22-19(24)14-5-4-6-15(13-14)31(26,27)23-9-11-29-12-10-23/h4-6,13H,2-3,7-12H2,1H3,(H,22,24)