tert-butyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-[4-(5-isoquinolylsulfonyloxy)phenyl]propyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-isoquinolinylsulfonyl(methyl)amino]-3-[4-(5-isoquinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-isoquinolylsulfonyl(methyl)amino]-3-[4-(5-isoquinolylsulfonyloxy)phenyl]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C37H41N5O7S2 MolecularWeight: 731.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C37H41N5O7S2/c1-37(2,3)48-36(43)42-21-19-41(20-22-42)26-30(40(4)50(44,45)34-9-5-7-28-24-38-17-15-32(28)34)23-27-11-13-31(14-12-27)49-51(46,47)35-10-6-8-29-25-39-18-16-33(29)35/h5-18,24-25,30H,19-23,26H2,1-4H3