N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-morpholinosulfonyl-benzamide Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O8S/c1-30-19-13-15(18(24(26)27)14-20(19)31-2)6-7-22-21(25)16-4-3-5-17(12-16)33(28,29)23-8-10-32-11-9-23/h3-5,12-14H,6-11H2,1-2H3,(H,22,25)