N-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-ethyl-4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S2/c1-3-22-14-16-24(17-15-22)30(27,28)21-12-10-20(11-13-21)29(25,26)23(4-2)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3/p+1