methyl 5-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 5-[[oxo-[4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(4-piperidino-3-piperidinosulfonyl-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N3O5S2/c1-31-23(28)19-10-11-21(32-19)24-22(27)17-8-9-18(25-12-4-2-5-13-25)20(16-17)33(29,30)26-14-6-3-7-15-26/h8-11,16H,2-7,12-15H2,1H3,(H,24,27)