methyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: methyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)isonipecotic acid methyl ester Formula: C22H28N6O4S MolecularWeight: 472.56052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C22H28N6O4S/c1-32-20(29)22(7-12-27(13-8-22)18-4-9-25-10-5-18)26-33(30,31)19-3-2-16-6-11-28(21(23)24)15-17(16)14-19/h2-5,9-10,14,26H,6-8,11-13,15H2,1H3,(H3,23,24)