tert-butyl (3S)-3-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=O)C2CCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=O)[C@H]2CCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5S/c1-14(15-8-10-17(11-9-15)29(21,26)27)22(5)18(24)16-7-6-12-23(13-16)19(25)28-20(2,3)4/h8-11,14,16H,6-7,12-13H2,1-5H3,(H2,21,26,27)/t14-,16+/m1/s1