3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]bicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]bicyclo[2.2.1]heptane-2-carboxylate Openeye Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]norbornane-2-carboxylate CAS Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-bicyclo[2.2.1]heptanecarboxylate IUPAC Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]bicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]norbornane-2-carboxylate Formula: C19H22NO5S- MolecularWeight: 376.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2C3CCC(C3)C2C(=O)[O-]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2C3CCC(C3)C2C(=O)[O-]

InChI

InChI=1S/C19H23NO5S/c1-3-4-11-25-15-7-9-16(10-8-15)26(23,24)20(2)18-14-6-5-13(12-14)17(18)19(21)22/h7-10,13-14,17-18H,5-6,11-12H2,1-2H3,(H,21,22)/p-1