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

Systemtic Name: 4-phenylbutyl (2S)-1-[(4-methoxy-3-nitro-phenyl)-methyl-sulfamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(4-methoxy-3-nitro-phenyl)-methyl-sulfamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(4-methoxy-3-nitrophenyl)-methylsulfamoyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(4-methoxy-3-nitrophenyl)-methylsulfamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(4-methoxy-3-nitro-phenyl)-methyl-sulfamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C24H31N3O7S MolecularWeight: 505.58384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O7S/c1-25(20-14-15-23(33-2)22(18-20)27(29)30)35(31,32)26-16-8-6-13-21(26)24(28)34-17-9-7-12-19-10-4-3-5-11-19/h3-5,10-11,14-15,18,21H,6-9,12-13,16-17H2,1-2H3/t21-/m0/s1