(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O5S/c26-24(29)23(19-10-4-1-5-11-19)33-25(30)20-12-13-21(27-14-6-2-7-15-27)22(18-20)34(31,32)28-16-8-3-9-17-28/h1,4-5,10-13,18,23H,2-3,6-9,14-17H2,(H2,26,29)