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

Systemtic Name: N,N-diethyl-4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[2-(methylthio)nicotinoyl]piperazino]-3-nitro-benzenesulfonamide Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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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=C(N=CC=C3)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S2/c1-4-25(5-2)33(30,31)16-8-9-18(19(15-16)26(28)29)23-11-13-24(14-12-23)21(27)17-7-6-10-22-20(17)32-3/h6-10,15H,4-5,11-14H2,1-3H3