N,N-diethyl-4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[2-[(3R)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[2-[(3R)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[2-[(5R)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]piperazin-4-ium-1-sulfonamide Formula: C21H30N5O4S2+ MolecularWeight: 480.624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H29N5O4S2/c1-3-24(4-2)32(28,29)25-11-9-23(10-12-25)16-21(27)26-18(19-7-5-13-30-19)15-17(22-26)20-8-6-14-31-20/h5-8,13-14,18H,3-4,9-12,15-16H2,1-2H3/p+1/t18-/m1/s1