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

Systemtic Name: methyl 2-[2-(4-morpholin-4-ylsulfonylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-morpholinosulfonylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-morpholinylsulfonyl)phenoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-morpholinosulfonylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O7S2/c1-29-22(26)20-17-4-2-3-5-18(17)32-21(20)23-19(25)14-31-15-6-8-16(9-7-15)33(27,28)24-10-12-30-13-11-24/h6-9H,2-5,10-14H2,1H3,(H,23,25)