1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-14-11-18(15(2)23(14)16-3-4-16)20(25)13-31-21-6-5-17(12-19(21)24(26)27)32(28,29)22-7-9-30-10-8-22/h5-6,11-12,16H,3-4,7-10,13H2,1-2H3