[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] naphthalene-2-sulfonate

Systemtic Name: [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] naphthalene-2-sulfonate Openeye Name: [4-(tert-butoxycarbonylamino)-2,2-dimethyl-butyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl] ester IUPAC Name: [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-(tert-butoxycarbonylamino)-2,2-dimethyl-butyl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(C)(C)COS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(C)(C)COS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H29NO5S/c1-20(2,3)27-19(23)22-13-12-21(4,5)15-26-28(24,25)18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14H,12-13,15H2,1-5H3,(H,22,23)