tert-butyl N-[3-[(1-chloranylisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(1-chloranylisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(1-chloro-5-isoquinolyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate CAS Name: N-[3-[(1-chloro-5-isoquinolinyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(1-chloroisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate Traditional Name: N-[3-[(1-chloro-5-isoquinolyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester Formula: C26H32ClN3O4S MolecularWeight: 518.06798

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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=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C26H32ClN3O4S/c1-26(2,3)34-25(31)29-16-9-19-30(18-8-12-20-10-5-4-6-11-20)35(32,33)23-14-7-13-22-21(23)15-17-28-24(22)27/h4-7,10-11,13-15,17H,8-9,12,16,18-19H2,1-3H3,(H,29,31)