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

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidin-4-yl] methyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)-4-piperidyl] methyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-4-piperidinyl] methyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-ylpiperidin-4-yl] methyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)-4-piperidyl] methyl ester Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1(CCN(CC1)C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

COC(=O)OC1(CCN(CC1)C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C22H28N6O5S/c1-32-21(29)33-22(7-12-27(13-8-22)18-4-9-25-10-5-18)26-34(30,31)19-3-2-16-6-11-28(20(23)24)15-17(16)14-19/h2-5,9-10,14,26H,6-8,11-13,15H2,1H3,(H3,23,24)