N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O6S2/c1-14-2-3-15(12-18(14)30(26,27)21-8-10-28-11-9-21)20-19(23)13-29-17-6-4-16(5-7-17)22(24)25/h2-7,12H,8-11,13H2,1H3,(H,20,23)