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

Systemtic Name: methyl 5-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-esylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O5S2/c1-3-27(23,24)20-8-6-12(7-9-20)17(21)19-14-4-5-15-13(10-14)11-16(26-15)18(22)25-2/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,21)