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

Systemtic Name: ethyl (3S)-1-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C19H26ClN3O5S2 MolecularWeight: 476.00984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H26ClN3O5S2/c1-2-28-18(24)14-4-3-7-22(13-14)19(29)21-17-12-15(5-6-16(17)20)30(25,26)23-8-10-27-11-9-23/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,21,29)/t14-/m0/s1