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

Systemtic Name: N,N-diethyl-3-nitro-4-[2-(1-propan-2-ylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(1-isopropylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-(1-propan-2-yl-4-piperidin-1-iumylidene)hydrazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-(1-propan-2-ylpiperidin-1-ium-4-ylidene)hydrazinyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[N'-(1-isopropylpiperidin-1-ium-4-ylidene)hydrazino]-3-nitro-benzenesulfonamide Formula: C18H30N5O4S+ MolecularWeight: 412.5269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4S/c1-5-22(6-2)28(26,27)16-7-8-17(18(13-16)23(24)25)20-19-15-9-11-21(12-10-15)14(3)4/h7-8,13-14,20H,5-6,9-12H2,1-4H3/p+1