(3S)-1-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoyl]nipecotamide Formula: C17H23ClN4O4S2 MolecularWeight: 446.97192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C(=O)N

InChI

InChI=1S/C17H23ClN4O4S2/c18-14-4-3-13(28(24,25)22-6-8-26-9-7-22)10-15(14)20-17(27)21-5-1-2-12(11-21)16(19)23/h3-4,10,12H,1-2,5-9,11H2,(H2,19,23)(H,20,27)/t12-/m0/s1