4-methyl-2-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]hexyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]hexyl]benzenesulfonic acid Openeye Name: 2-[6-[benzyl(tert-butoxycarbonyl)amino]hexyl]-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]hexyl]benzenesulfonic acid IUPAC Name: 2-[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[6-[benzyl(tert-butoxycarbonyl)amino]hexyl]-4-methyl-besylic acid Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35NO5S/c1-20-15-16-23(32(28,29)30)22(18-20)14-10-5-6-11-17-26(24(27)31-25(2,3)4)19-21-12-8-7-9-13-21/h7-9,12-13,15-16,18H,5-6,10-11,14,17,19H2,1-4H3,(H,28,29,30)