methyl 5-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-besylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S2/c1-29-22(26)20-14-16-13-17(7-8-19(16)30-20)23-21(25)15-9-11-24(12-10-15)31(27,28)18-5-3-2-4-6-18/h2-8,13-15H,9-12H2,1H3,(H,23,25)