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

Systemtic Name: 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)-4-nitro-benzamide Openeye Name: N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide Traditional Name: N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-3-methyl-4-nitro-benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-14(2)31-20-7-5-17(32(28,29)23-8-10-30-11-9-23)13-18(20)22-21(25)16-4-6-19(24(26)27)15(3)12-16/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)