N,N-diethyl-6-oxidanylidene-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-6-oxidanylidene-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyridine-3-sulfonamide Openeye Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N,N-diethyl-6-oxo-pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-oxo-1-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3-pyridinesulfonamide IUPAC Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N,N-diethyl-6-keto-pyridine-3-sulfonamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O4S/c1-3-26(4-2)31(29,30)20-10-11-21(27)25(17-20)18-22(28)24-14-12-23(13-15-24)16-19-8-6-5-7-9-19/h5-11,17H,3-4,12-16,18H2,1-2H3/p+1