N-[2-(4-ethylpiperazin-4-ium-1-yl)sulfonylethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)sulfonylethyl]-4-phenyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)sulfonylethyl]-4-phenyl-benzamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)sulfonylethyl]-4-phenylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)sulfonylethyl]-4-phenyl-benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-2-23-13-15-24(16-14-23)28(26,27)17-12-22-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1