1-[(2S)-4-methyl-2-[(4-sulfamoylphenyl)carbonylamino]pentanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2S)-4-methyl-2-[(4-sulfamoylphenyl)carbonylamino]pentanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2S)-4-methyl-2-[(4-sulfamoylbenzoyl)amino]pentanoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2S)-4-methyl-1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-4-methyl-2-[(4-sulfamoylbenzoyl)amino]pentanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2S)-4-methyl-2-[(4-sulfamoylbenzoyl)amino]pentanoyl]nipecotic acid Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCCC(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H27N3O6S/c1-12(2)10-16(18(24)22-9-3-4-14(11-22)19(25)26)21-17(23)13-5-7-15(8-6-13)29(20,27)28/h5-8,12,14,16H,3-4,9-11H2,1-2H3,(H,21,23)(H,25,26)(H2,20,27,28)/t14?,16-/m0/s1