4-[cyano(methyl)carbamoyl]benzenesulfonic acid; N,N-diethylethanamine

Systemtic Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid; N,N-diethylethanamine Openeye Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid; N,N-diethylethanamine CAS Name: 4-[[cyano(methyl)amino]-oxomethyl]benzenesulfonic acid; N,N-diethylethanamine IUPAC Name: 4-[cyano(methyl)carbamoyl]benzenesulfonic acid; N,N-diethylethanamine Traditional Name: 4-[cyano(methyl)carbamoyl]besylic acid; triethylamine Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN(C#N)C(=O)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.CN(C#N)C(=O)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O4S.C6H15N/c1-11(6-10)9(12)7-2-4-8(5-3-7)16(13,14)15;1-4-7(5-2)6-3/h2-5H,1H3,(H,13,14,15);4-6H2,1-3H3