2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S/c29-24(25-22-8-10-23(11-9-22)27-13-4-5-14-27)20-26-15-17-28(18-16-26)32(30,31)19-12-21-6-2-1-3-7-21/h1-3,6-12,19H,4-5,13-18,20H2,(H,25,29)/p+1/b19-12+