methyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-carbamoyl-4-(1-piperidyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-carbamoyl-4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-carbamoyl-4-piperidino-piperidino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C(=O)N)N3CCCCC3

InChI

InChI=1S/C17H25N3O5S2/c1-25-15(21)14-13(5-12-26-14)27(23,24)20-10-6-17(7-11-20,16(18)22)19-8-3-2-4-9-19/h5,12H,2-4,6-11H2,1H3,(H2,18,22)