4-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzenesulfonic acid Openeye Name: 3-[(1-tert-butoxycarbonylpyrrolidin-2-yl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-3-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]methyl]benzenesulfonic acid IUPAC Name: 4-methyl-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzenesulfonic acid Traditional Name: 3-[(1-tert-butoxycarbonylpyrrolidin-2-yl)methyl]-4-methyl-besylic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CC2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CC2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25NO5S/c1-12-7-8-15(24(20,21)22)11-13(12)10-14-6-5-9-18(14)16(19)23-17(2,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,20,21,22)