methyl 3-methoxy-5-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-methoxy-5-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-methoxy-5-[(1-morpholinosulfonylpiperidine-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-methoxy-5-[[[1-(4-morpholinylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-methoxy-5-[(1-morpholin-4-ylsulfonylpiperidine-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-methoxy-5-[(1-morpholinosulfonylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4)C(=O)OC

Isomeric SMILES

COC1=C(SC2=C1C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C21H27N3O7S2/c1-29-18-16-13-15(3-4-17(16)32-19(18)21(26)30-2)22-20(25)14-5-7-23(8-6-14)33(27,28)24-9-11-31-12-10-24/h3-4,13-14H,5-12H2,1-2H3,(H,22,25)