6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-N-propan-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-N-propan-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-N-isopropyl-pyridine-3-sulfonamide CAS Name: 6-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-N-propan-2-yl-3-pyridinesulfonamide IUPAC Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-N-propan-2-ylpyridine-3-sulfonamide Traditional Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-N-isopropyl-pyridine-3-sulfonamide Formula: C20H28ClN4O3S+ MolecularWeight: 439.97932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O3S/c1-16(2)23-29(26,27)19-7-8-20(22-15-19)25-11-9-24(10-12-25)13-14-28-18-5-3-17(21)4-6-18/h3-8,15-16,23H,9-14H2,1-2H3/p+1