(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)sulfamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)sulfamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[benzyl(tert-butoxycarbonyl)sulfamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)sulfamoyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[benzyl(tert-butoxycarbonyl)sulfamoyl]nipecotate Formula: C18H25N2O6S- MolecularWeight: 397.4659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)S(=O)(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O6S/c1-18(2,3)26-17(23)20(12-14-8-5-4-6-9-14)27(24,25)19-11-7-10-15(13-19)16(21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22)/p-1/t15-/m0/s1