1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-17(19-8-5-9-20(16-19)23(24)25)21-11-13-22(14-12-21)28(26,27)15-10-18-6-3-2-4-7-18/h2-10,15-17H,11-14H2,1H3/p+1/b15-10+/t17-/m1/s1