3-[dimethyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)azaniumyl]propanimidate

Systemtic Name: 3-[dimethyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)azaniumyl]propanimidate Openeye Name: 3-[dimethyl-[1-(1-naphthylsulfonyl)indazol-6-yl]ammonio]propanimidate CAS Name: 3-[dimethyl-[1-(1-naphthalenylsulfonyl)-6-indazolyl]ammonio]propanimidate IUPAC Name: 3-[dimethyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)azaniumyl]propanimidate Traditional Name: 3-[dimethyl-[1-(1-naphthylsulfonyl)indazol-6-yl]ammonio]propionimidate Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(=N)[O-])C1=CC2=C(C=C1)C=NN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[N+](C)(CCC(=N)[O-])C1=CC2=C(C=C1)C=NN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3S/c1-26(2,13-12-22(23)27)18-11-10-17-15-24-25(20(17)14-18)30(28,29)21-9-5-7-16-6-3-4-8-19(16)21/h3-11,14-15H,12-13H2,1-2H3,(H-,23,27)