4-methyl-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]benzenesulfonic acid Openeye Name: 2-[1-[4-(tert-butoxycarbonylamino)phenyl]ethyl]-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-2-[1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]benzenesulfonic acid Traditional Name: 2-[1-[4-(tert-butoxycarbonylamino)phenyl]ethyl]-4-methyl-besylic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO5S/c1-13-6-11-18(27(23,24)25)17(12-13)14(2)15-7-9-16(10-8-15)21-19(22)26-20(3,4)5/h6-12,14H,1-5H3,(H,21,22)(H,23,24,25)