4-[4-(4-chloranylpyridin-2-yl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4-chloranylpyridin-2-yl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-chloro-2-pyridinyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-chloropicolinoyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H24ClN5O5S MolecularWeight: 481.95306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NC=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NC=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O5S/c1-3-25(4-2)32(30,31)16-5-6-18(19(14-16)26(28)29)23-9-11-24(12-10-23)20(27)17-13-15(21)7-8-22-17/h5-8,13-14H,3-4,9-12H2,1-2H3