methyl 3-chloranyl-6-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-mesylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H19ClN2O5S2 MolecularWeight: 430.92616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H19ClN2O5S2/c1-25-17(22)15-14(18)12-4-3-11(9-13(12)26-15)19-16(21)10-5-7-20(8-6-10)27(2,23)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)