methyl N-[(2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5S/c1-14(16(21)18-17(22)25-2)19-9-11-20(12-10-19)26(23,24)13-8-15-6-4-3-5-7-15/h3-8,13-14H,9-12H2,1-2H3,(H,18,21,22)/p+1/b13-8+/t14-/m1/s1