N,N-diethyl-3-[4-(4-nitrophenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(4-nitrophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[(2-keto-2-piperidino-ethyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C25H30N6O5S2 MolecularWeight: 558.6729

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)N4CCCCC4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)N4CCCCC4

InChI

InChI=1S/C25H30N6O5S2/c1-3-29(4-2)38(35,36)22-10-8-9-19(17-22)24-26-27-25(37-18-23(32)28-15-6-5-7-16-28)30(24)20-11-13-21(14-12-20)31(33)34/h8-14,17H,3-7,15-16,18H2,1-2H3