N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-13-5-6-16(28(25,26)20-7-9-27-10-8-20)12-17(13)19-18(22)14-3-2-4-15(11-14)21(23)24/h2-6,11-12H,7-10H2,1H3,(H,19,22)