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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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