(2S)-N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: (2S)-N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: (2S)-N-[4-(cyclopropanecarbonylamino)benzyl]-1-mesyl-pipecolinamide Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCCC1C(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C18H25N3O4S/c1-26(24,25)21-11-3-2-4-16(21)18(23)19-12-13-5-9-15(10-6-13)20-17(22)14-7-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,22)/t16-/m0/s1