5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-N-cyclopropyl-2-methoxy-benzenesulfonamide

Systemtic Name: 5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-N-cyclopropyl-2-methoxy-benzenesulfonamide Openeye Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-cyclopropyl-2-methoxy-benzenesulfonamide CAS Name: 5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-cyclopropyl-2-methoxybenzenesulfonamide IUPAC Name: 5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide Traditional Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-cyclopropyl-2-methoxy-benzenesulfonamide Formula: C20H25ClN3O4S2+ MolecularWeight: 471.0132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)S(=O)(=O)NC4CC4

InChI

InChI=1S/C20H24ClN3O4S2/c1-28-17-6-2-14(12-18(17)30(26,27)22-15-3-4-15)20(25)24-10-8-23(9-11-24)13-16-5-7-19(21)29-16/h2,5-7,12,15,22H,3-4,8-11,13H2,1H3/p+1