4-phenylbutyl (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(5-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)N3CCCCC3C(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)NS(=O)(=O)N3CCCC[C@H]3C(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O5S2/c1-31-19-13-14-22-20(17-19)25-24(33-22)26-34(29,30)27-15-7-5-12-21(27)23(28)32-16-8-6-11-18-9-3-2-4-10-18/h2-4,9-10,13-14,17,21H,5-8,11-12,15-16H2,1H3,(H,25,26)/t21-/m0/s1