N,N-diethylethanamine; 5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid

Systemtic Name: N,N-diethylethanamine; 5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid Openeye Name: 5-(tert-butoxycarbonylamino)naphthalene-1-sulfonic acid; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: N,N-diethylethanamine; 5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid Traditional Name: 5-(tert-butoxycarbonylamino)naphthalene-1-sulfonic acid; triethylamine Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)(C)OC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.CC(C)(C)OC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C15H17NO5S.C6H15N/c1-15(2,3)21-14(17)16-12-8-4-7-11-10(12)6-5-9-13(11)22(18,19)20;1-4-7(5-2)6-3/h4-9H,1-3H3,(H,16,17)(H,18,19,20);4-6H2,1-3H3