N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H34N4O4S/c1-22-9-10-24(35(32,33)30-16-18-34-19-17-30)20-25(22)27-26(31)21-29-14-12-28(13-15-29)11-5-8-23-6-3-2-4-7-23/h2-10,20H,11-19,21H2,1H3,(H,27,31)/p+1/b8-5+