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

Systemtic Name: 5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methoxy-N-propan-2-yl-benzenesulfonamide Openeye Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-isopropyl-2-methoxy-benzenesulfonamide CAS Name: 5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide IUPAC Name: 5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide Traditional Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-isopropyl-2-methoxy-benzenesulfonamide Formula: C20H27ClN3O4S2+ MolecularWeight: 473.02908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)OC

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)OC

InChI

InChI=1S/C20H26ClN3O4S2/c1-14(2)22-30(26,27)18-12-15(4-6-17(18)28-3)20(25)24-10-8-23(9-11-24)13-16-5-7-19(21)29-16/h4-7,12,14,22H,8-11,13H2,1-3H3/p+1