5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indazole

Systemtic Name: 5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indazole Openeye Name: 5-nitro-1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]indazole CAS Name: 5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]indazole IUPAC Name: 5-nitro-1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indazole Traditional Name: 5-nitro-1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]indazole Formula: C20H22N5O4S+ MolecularWeight: 428.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4S/c26-25(27)19-6-7-20-18(14-19)15-21-24(20)16-22-9-11-23(12-10-22)30(28,29)13-8-17-4-2-1-3-5-17/h1-8,13-15H,9-12,16H2/p+1/b13-8+