N-(2-methoxyethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methoxyethyl)-4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]benzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-methoxyethyl)-4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-29-18-12-23-30(27,28)21-9-7-20(8-10-21)22(26)25-16-14-24(15-17-25)13-11-19-5-3-2-4-6-19/h2-10,23H,11-18H2,1H3/p+1