N4,N4-dimethyl-2-nitro-N1-[1-(phenylmethyl)piperidin-4-yl]benzene-1,4-disulfonamide hydrochloride

Systemtic Name: N4,N4-dimethyl-2-nitro-N1-[1-(phenylmethyl)piperidin-4-yl]benzene-1,4-disulfonamide hydrochloride Openeye Name: N1-(1-benzyl-4-piperidyl)-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide hydrochloride CAS Name: N4,N4-dimethyl-2-nitro-N1-[1-(phenylmethyl)-4-piperidinyl]benzene-1,4-disulfonamide hydrochloride IUPAC Name: 1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide hydrochloride Traditional Name: N-(1-benzyl-4-piperidyl)-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide hydrochloride Formula: C20H27ClN4O6S2 MolecularWeight: 519.03458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H26N4O6S2.ClH/c1-22(2)32(29,30)18-8-9-20(19(14-18)24(25)26)31(27,28)21-17-10-12-23(13-11-17)15-16-6-4-3-5-7-16;/h3-9,14,17,21H,10-13,15H2,1-2H3;1H