N-[4-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c1-16(26)23-18-6-8-19(9-7-18)29(27,28)25-12-10-24(11-13-25)15-17-14-22-21-5-3-2-4-20(17)21/h2-9,14,22H,10-13,15H2,1H3,(H,23,26)/p+1