4-[1-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-(1-besyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C(=CC=C2)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNC(C2=C1C(=CC=C2)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O4S/c24-20(25)23-13-11-22(12-14-23)18-8-4-7-17-16(18)9-10-21-19(17)28(26,27)15-5-2-1-3-6-15/h1-8,19,21H,9-14H2,(H,24,25)