N-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]-4-ethoxy-benzenesulfonamide Formula: C20H27ClN3O4S2+ MolecularWeight: 473.02908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H26ClN3O4S2/c1-2-28-16-3-6-18(7-4-16)30(26,27)22-10-9-20(25)24-13-11-23(12-14-24)15-17-5-8-19(21)29-17/h3-8,22H,2,9-15H2,1H3/p+1