N,N-diethyl-4-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(1-methylpyrrol-2-yl)-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(1-methyl-2-pyrrolyl)-2-oxoethoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-keto-2-(1-methylpyrrol-2-yl)ethoxy]-3-nitro-benzenesulfonamide Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S/c1-4-19(5-2)27(24,25)13-8-9-17(15(11-13)20(22)23)26-12-16(21)14-7-6-10-18(14)3/h6-11H,4-5,12H2,1-3H3