4-(butylaminomethyl)-4-oxidanyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 4-(butylaminomethyl)-4-oxidanyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)sulfonyl-4-(butylaminomethyl)-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 4-(butylaminomethyl)-4-hydroxy-1-(4-phenylmethoxyphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 4-(butylaminomethyl)-4-hydroxy-1-(4-phenylmethoxyphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(4-benzoxyphenyl)sulfonyl-4-(butylaminomethyl)-4-hydroxy-pipecolinic acid Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCNCC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O6S/c1-2-3-14-25-18-24(29)13-15-26(22(16-24)23(27)28)33(30,31)21-11-9-20(10-12-21)32-17-19-7-5-4-6-8-19/h4-12,22,25,29H,2-3,13-18H2,1H3,(H,27,28)