N,N-diethyl-3-nitro-4-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]benzenesulfonamide Openeye Name: 4-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-[1-(phenylmethyl)-4-piperidin-1-iumylidene]hydrazinyl]benzenesulfonamide IUPAC Name: 4-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[N'-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN=C2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c1-3-26(4-2)32(30,31)20-10-11-21(22(16-20)27(28)29)24-23-19-12-14-25(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,24H,3-4,12-15,17H2,1-2H3/p+1