(2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2R)-N-(2-phenylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-N-(2-phenylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S/c1-22(27(31)28-26-15-9-8-14-25(26)24-12-6-3-7-13-24)29-17-19-30(20-18-29)34(32,33)21-16-23-10-4-2-5-11-23/h2-16,21-22H,17-20H2,1H3,(H,28,31)/p+1/b21-16+/t22-/m1/s1