2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: N-(3-phenylpropyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: N-(3-phenylpropyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c27-23(24-14-7-12-21-8-3-1-4-9-21)20-25-15-17-26(18-16-25)30(28,29)19-13-22-10-5-2-6-11-22/h1-6,8-11,13,19H,7,12,14-18,20H2,(H,24,27)/p+1/b19-13+