(phenylmethyl) 3-[(butylsulfonylamino)-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(butylsulfonylamino)-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: benzyl 3-[(butylsulfonylamino)-(2-ethoxy-1-methyl-2-oxo-ethyl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[(butylsulfonylamino)-(1-ethoxy-1-oxopropan-2-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(butylsulfonylamino)-(1-ethoxy-1-oxopropan-2-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(butylsulfonylamino)-(2-ethoxy-2-keto-1-methyl-ethyl)carbamoyl]piperidine-1-carboxylic acid benzyl ester Formula: C23H35N3O7S MolecularWeight: 497.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NN(C(C)C(=O)OCC)C(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)NN(C(C)C(=O)OCC)C(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O7S/c1-4-6-15-34(30,31)24-26(18(3)22(28)32-5-2)21(27)20-13-10-14-25(16-20)23(29)33-17-19-11-8-7-9-12-19/h7-9,11-12,18,20,24H,4-6,10,13-17H2,1-3H3