6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Openeye Name: 6-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide CAS Name: 6-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-ethyl-N-phenyl-3-pyridinesulfonamide IUPAC Name: 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide Traditional Name: 6-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Formula: C25H36N5O3S+ MolecularWeight: 486.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N5O3S/c1-2-30(22-10-6-5-7-11-22)34(32,33)23-12-13-24(26-20-23)28-18-16-27(17-19-28)21-25(31)29-14-8-3-4-9-15-29/h5-7,10-13,20H,2-4,8-9,14-19,21H2,1H3/p+1