2-tert-butyl-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-tert-butyl-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-tert-butyl-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-tert-butyl-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-tert-butyl-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-tert-butyl-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)16-11-14(17(21)22)13-10-12(6-7-15(13)19-16)25(23,24)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,22)