4-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]pentyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]pentyl]benzenesulfonic acid Openeye Name: 2-[5-[benzyl(tert-butoxycarbonyl)amino]pentyl]-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]pentyl]benzenesulfonic acid IUPAC Name: 2-[5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[5-[benzyl(tert-butoxycarbonyl)amino]pentyl]-4-methyl-besylic acid Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5S/c1-19-14-15-22(31(27,28)29)21(17-19)13-9-6-10-16-25(23(26)30-24(2,3)4)18-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,17H,6,9-10,13,16,18H2,1-4H3,(H,27,28,29)