[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C27H35N3O6S/c1-21(2)30(22-9-5-3-6-10-22)26(31)20-36-27(32)24-19-23(37(33,34)29-13-7-4-8-14-29)11-12-25(24)28-15-17-35-18-16-28/h3,5-6,9-12,19,21H,4,7-8,13-18,20H2,1-2H3