tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[2-(phenylsulfonyl)ethyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[2-(phenylsulfonyl)ethyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[2-(benzenesulfonyl)ethyl-(5-isoquinolylsulfonyl)amino]propyl]carbamate CAS Name: N-[3-[2-(benzenesulfonyl)ethyl-(5-isoquinolinylsulfonyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-(benzenesulfonyl)ethyl-isoquinolin-5-ylsulfonylamino]propyl]carbamate Traditional Name: N-[3-[2-besylethyl(5-isoquinolylsulfonyl)amino]propyl]carbamic acid tert-butyl ester Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C25H31N3O6S2/c1-25(2,3)34-24(29)27-14-8-16-28(17-18-35(30,31)21-10-5-4-6-11-21)36(32,33)23-12-7-9-20-19-26-15-13-22(20)23/h4-7,9-13,15,19H,8,14,16-18H2,1-3H3,(H,27,29)