N,N-dimethylmethanamine; 2-(5-nitroindazol-1-yl)carbonylbenzenesulfonate

Systemtic Name: N,N-dimethylmethanamine; 2-(5-nitroindazol-1-yl)carbonylbenzenesulfonate Openeye Name: N,N-dimethylmethanamine; 2-(5-nitroindazole-1-carbonyl)benzenesulfonate CAS Name: N,N-dimethylmethanamine; 2-[(5-nitro-1-indazolyl)-oxomethyl]benzenesulfonate IUPAC Name: N,N-dimethylmethanamine; 2-(5-nitroindazole-1-carbonyl)benzenesulfonate Traditional Name: 2-(5-nitroindazole-1-carbonyl)besylate; trimethylamine Formula: C17H17N4O6S- MolecularWeight: 405.40508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C.C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)[O-]

Isomeric SMILES

CN(C)C.C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)[O-]

InChI

InChI=1S/C14H9N3O6S.C3H9N/c18-14(11-3-1-2-4-13(11)24(21,22)23)16-12-6-5-10(17(19)20)7-9(12)8-15-16;1-4(2)3/h1-8H,(H,21,22,23);1-3H3/p-1