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

Systemtic Name: (2R)-N-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-phenyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-phenyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-18(21(25)22-20-10-6-3-7-11-20)23-13-15-24(16-14-23)28(26,27)17-12-19-8-4-2-5-9-19/h2-12,17-18H,13-16H2,1H3,(H,22,25)/p+1/b17-12+/t18-/m1/s1