ethyl 4-[[2-(hydroxymethyl)-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(hydroxymethyl)-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(hydroxymethyl)-5-[[4-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-(hydroxymethyl)-5-[oxo-[4-(1-piperidinylsulfonyl)anilino]methyl]phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(hydroxymethyl)-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-methylol-5-[(4-piperidinosulfonylphenyl)carbamoyl]benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C28H36N4O7S MolecularWeight: 572.67304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)CO

InChI

InChI=1S/C28H36N4O7S/c1-2-39-28(36)31-16-12-23(13-17-31)30-27(35)25-18-20(6-7-21(25)19-33)26(34)29-22-8-10-24(11-9-22)40(37,38)32-14-4-3-5-15-32/h6-11,18,23,33H,2-5,12-17,19H2,1H3,(H,29,34)(H,30,35)