methyl 2-[ethyl-[1-phenyl-2-[(phenylmethyl)sulfonylamino]piperidin-2-yl]carbonyl-amino]benzoate

Systemtic Name: methyl 2-[ethyl-[1-phenyl-2-[(phenylmethyl)sulfonylamino]piperidin-2-yl]carbonyl-amino]benzoate Openeye Name: methyl 2-[[2-(benzylsulfonylamino)-1-phenyl-piperidine-2-carbonyl]-ethyl-amino]benzoate CAS Name: 2-[ethyl-[oxo-[1-phenyl-2-[(phenylmethyl)sulfonylamino]-2-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzylsulfonylamino)-1-phenylpiperidine-2-carbonyl]-ethylamino]benzoate Traditional Name: 2-[[2-(benzylsulfonylamino)-1-phenyl-pipecoloyl]-ethyl-amino]benzoic acid methyl ester Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C(=O)OC)C(=O)C2(CCCCN2C3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1C(=O)OC)C(=O)C2(CCCCN2C3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O5S/c1-3-31(26-19-11-10-18-25(26)27(33)37-2)28(34)29(30-38(35,36)22-23-14-6-4-7-15-23)20-12-13-21-32(29)24-16-8-5-9-17-24/h4-11,14-19,30H,3,12-13,20-22H2,1-2H3