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

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)OCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O4S/c1-18(2)27-15-6-10-21-20(24)17-22-11-13-23(14-12-22)28(25,26)16-9-19-7-4-3-5-8-19/h3-5,7-9,16,18H,6,10-15,17H2,1-2H3,(H,21,24)/p+1/b16-9+