N-(4-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-34-26-13-11-25(12-14-26)28-27(31)24-9-7-23(8-10-24)21-29-16-18-30(19-17-29)35(32,33)20-15-22-5-3-2-4-6-22/h2-15,20H,16-19,21H2,1H3,(H,28,31)/p+1/b20-15+