4-[(2-methylpropan-2-yl)oxycarbonyl-(naphthalen-1-ylmethyl)amino]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl-(naphthalen-1-ylmethyl)amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[tert-butoxycarbonyl(1-naphthylmethyl)amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-naphthalenylmethyl)amino]butyl ester IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl-(naphthalen-1-ylmethyl)amino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[tert-butoxycarbonyl(1-naphthylmethyl)amino]butyl ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CC2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(CC2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33NO5S/c1-21-14-16-24(17-15-21)34(30,31)32-19-8-7-18-28(26(29)33-27(2,3)4)20-23-12-9-11-22-10-5-6-13-25(22)23/h5-6,9-17H,7-8,18-20H2,1-4H3