tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-isoquinolylsulfonyl(3-phenylpropyl)amino]propyl]carbamate CAS Name: N-[3-[5-isoquinolinylsulfonyl(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]propyl]carbamate Traditional Name: N-[3-[5-isoquinolylsulfonyl(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C26H33N3O4S/c1-26(2,3)33-25(30)28-16-9-19-29(18-8-12-21-10-5-4-6-11-21)34(31,32)24-14-7-13-22-20-27-17-15-23(22)24/h4-7,10-11,13-15,17,20H,8-9,12,16,18-19H2,1-3H3,(H,28,30)