N-[4-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(4-benzylpiperazin-1-ium-1-yl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(4-benzylpiperazin-1-ium-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(4-benzylpiperazin-1-ium-1-yl)piperidino]sulfonylphenyl]acetamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-20(29)25-22-7-9-24(10-8-22)32(30,31)28-13-11-23(12-14-28)27-17-15-26(16-18-27)19-21-5-3-2-4-6-21/h2-10,23H,11-19H2,1H3,(H,25,29)/p+1