[(Z)-2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-(3-ethylpent-1-yn-3-yl)azanium

Systemtic Name: [(Z)-2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-(3-ethylpent-1-yn-3-yl)azanium Openeye Name: [(Z)-2-(4-bromophenyl)sulfonyl-2-nitro-vinyl]-(1,1-diethylprop-2-ynyl)ammonium CAS Name: [(Z)-2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-(3-ethylpent-1-yn-3-yl)ammonium IUPAC Name: [(Z)-2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-(3-ethylpent-1-yn-3-yl)azanium Traditional Name: [(Z)-2-brosyl-2-nitro-vinyl]-(1,1-diethylprop-2-ynyl)ammonium Formula: C15H18BrN2O4S+ MolecularWeight: 402.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)[NH2+]C=C([N+](=O)[O-])S(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCC(CC)(C#C)[NH2+]/C=C(/[N+](=O)[O-])\S(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H17BrN2O4S/c1-4-15(5-2,6-3)17-11-14(18(19)20)23(21,22)13-9-7-12(16)8-10-13/h1,7-11,17H,5-6H2,2-3H3/p+1/b14-11-