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

Systemtic Name: 2-chloranyl-N,N-diethyl-5-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N,N-diethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N,N-diethyl-5-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N,N-diethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-3-25(4-2)32(30,31)20-15-16(5-10-19(20)22)21(27)24-13-11-23(12-14-24)17-6-8-18(9-7-17)26(28)29/h5-10,15H,3-4,11-14H2,1-2H3