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

Systemtic Name: methyl 3-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(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=C(C=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

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