4-ethoxy-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H26N4O4S/c1-2-28-18-3-5-19(6-4-18)29(26,27)22-15-20(25)24-13-11-23(12-14-24)16-17-7-9-21-10-8-17/h3-10,22H,2,11-16H2,1H3/p+1