tert-butyl 4-[4-[2-[[(butylsulfonylamino)-methyl-amino]methyl]-3-oxidanylidene-pentanoyl]oxyphenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[[(butylsulfonylamino)-methyl-amino]methyl]-3-oxidanylidene-pentanoyl]oxyphenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[[(butylsulfonylamino)-methyl-amino]methyl]-3-oxo-pentanoyl]oxyphenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[4-[2-[[(butylsulfonylamino)-methylamino]methyl]-1,3-dioxopentoxy]phenyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[[(butylsulfonylamino)-methylamino]methyl]-3-oxopentanoyl]oxyphenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[4-[2-[[(butylsulfonylamino)-methyl-amino]methyl]-3-keto-pentanoyl]oxyphenyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H43N3O8S MolecularWeight: 569.71062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NN(C)CC(C(=O)CC)C(=O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCS(=O)(=O)NN(C)CC(C(=O)CC)C(=O)OC1=CC=C(C=C1)C2(CCN(CC2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H43N3O8S/c1-7-9-18-39(35,36)28-29(6)19-22(23(31)8-2)24(32)37-21-12-10-20(11-13-21)27(34)14-16-30(17-15-27)25(33)38-26(3,4)5/h10-13,22,28,34H,7-9,14-19H2,1-6H3