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

Systemtic Name: N-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H27ClN3O3S2+ MolecularWeight: 457.02968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H26ClN3O3S2/c1-15-3-5-18(13-16(15)2)29(26,27)22-8-7-20(25)24-11-9-23(10-12-24)14-17-4-6-19(21)28-17/h3-6,13,22H,7-12,14H2,1-2H3/p+1