tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(4-phenylbutyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(4-phenylbutyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-isoquinolylsulfonyl(4-phenylbutyl)amino]propyl]carbamate CAS Name: N-[3-[5-isoquinolinylsulfonyl(4-phenylbutyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(4-phenylbutyl)amino]propyl]carbamate Traditional Name: N-[3-[5-isoquinolylsulfonyl(4-phenylbutyl)amino]propyl]carbamic acid tert-butyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C27H35N3O4S/c1-27(2,3)34-26(31)29-17-10-20-30(19-8-7-13-22-11-5-4-6-12-22)35(32,33)25-15-9-14-23-21-28-18-16-24(23)25/h4-6,9,11-12,14-16,18,21H,7-8,10,13,17,19-20H2,1-3H3,(H,29,31)