4-phenylbutyl (2S)-1-[(3-azanyl-4-methoxy-phenyl)-methyl-sulfamoyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-[(3-azanyl-4-methoxy-phenyl)-methyl-sulfamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(3-amino-4-methoxy-phenyl)-methyl-sulfamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(3-amino-4-methoxyphenyl)-methylsulfamoyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(3-amino-4-methoxyphenyl)-methylsulfamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(3-amino-4-methoxy-phenyl)-methyl-sulfamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)OC)N)S(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC(=C(C=C1)OC)N)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O5S/c1-26(20-14-15-23(31-2)21(25)18-20)33(29,30)27-16-8-6-13-22(27)24(28)32-17-9-7-12-19-10-4-3-5-11-19/h3-5,10-11,14-15,18,22H,6-9,12-13,16-17,25H2,1-2H3/t22-/m0/s1