N,N-diethylethanamine; 2-(5-methylbenzotriazol-1-yl)carbonylbenzenesulfonate

Systemtic Name: N,N-diethylethanamine; 2-(5-methylbenzotriazol-1-yl)carbonylbenzenesulfonate Openeye Name: N,N-diethylethanamine; 2-(5-methylbenzotriazole-1-carbonyl)benzenesulfonate CAS Name: N,N-diethylethanamine; 2-[(5-methyl-1-benzotriazolyl)-oxomethyl]benzenesulfonate IUPAC Name: N,N-diethylethanamine; 2-(5-methylbenzotriazole-1-carbonyl)benzenesulfonate Traditional Name: 2-(5-methylbenzotriazole-1-carbonyl)besylate; triethylamine Formula: C20H25N4O4S- MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CC.CC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C14H11N3O4S.C6H15N/c1-9-6-7-12-11(8-9)15-16-17(12)14(18)10-4-2-3-5-13(10)22(19,20)21;1-4-7(5-2)6-3/h2-8H,1H3,(H,19,20,21);4-6H2,1-3H3/p-1