N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C21H30N3O5S2+ MolecularWeight: 468.61

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H29N3O5S2/c1-3-29-19-6-10-21(11-7-19)31(27,28)24-16-14-23(15-17-24)13-12-22-30(25,26)20-8-4-18(2)5-9-20/h4-11,22H,3,12-17H2,1-2H3/p+1