4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(piperidin-4-ylsulfamoyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(piperidin-4-ylsulfamoyl)piperidine-4-carboxylic acid Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-piperidylsulfamoyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-piperidinylsulfamoyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(piperidin-4-ylsulfamoyl)piperidine-4-carboxylic acid Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-piperidylsulfamoyl)isonipecotic acid Formula: C22H34N6O5S MolecularWeight: 494.60756

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NS(=O)(=O)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

Isomeric SMILES

C1CNCCC1NS(=O)(=O)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O

InChI

InChI=1S/C22H34N6O5S/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)33-15-22(20(29)30)6-11-28(12-7-22)34(31,32)26-18-3-8-25-9-4-18/h1-2,13,18,25-26H,3-12,14-15H2,(H3,23,24)(H,29,30)