N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H35N4O3S+ MolecularWeight: 483.6461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H34N4O3S/c1-28-16-18-29(19-17-28)21-23-7-9-25(10-8-23)27-26(31)24-11-14-30(15-12-24)34(32,33)20-13-22-5-3-2-4-6-22/h2-10,13,20,24H,11-12,14-19,21H2,1H3,(H,27,31)/p+1/b20-13+