1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)proline Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c17-14(18)13-6-3-8-16(13)21(19,20)15-9-7-11-4-1-2-5-12(11)10-15/h1-2,4-5,13H,3,6-10H2,(H,17,18)