5-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl 4-methylbenzenesulfonate Openeye Name: 5-[9-anthrylmethyl(tert-butoxycarbonyl)amino]pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl ester IUPAC Name: 5-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-[9-anthrylmethyl(tert-butoxycarbonyl)amino]pentyl ester Formula: C32H37NO5S MolecularWeight: 547.70488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H37NO5S/c1-24-16-18-27(19-17-24)39(35,36)37-21-11-5-10-20-33(31(34)38-32(2,3)4)23-30-28-14-8-6-12-25(28)22-26-13-7-9-15-29(26)30/h6-9,12-19,22H,5,10-11,20-21,23H2,1-4H3