(2S)-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C19H20ClN3O6S2 MolecularWeight: 485.9616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O6S2/c1-13(30-16-5-3-15(4-6-16)23(25)26)19(24)21-14-2-7-17(20)18(12-14)31(27,28)22-8-10-29-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,24)/t13-/m0/s1