N,N-diethyl-2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-2-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-2-methyl-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-2-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-2-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-4-25(5-2)32(30,31)21-16-18(7-6-17(21)3)22(27)24-14-12-23(13-15-24)19-8-10-20(11-9-19)26(28)29/h6-11,16H,4-5,12-15H2,1-3H3