tert-butyl N-[3-[(4-methylisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-methylisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(4-methyl-5-isoquinolyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate CAS Name: N-[3-[(4-methyl-5-isoquinolinyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-methylisoquinolin-5-yl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamate Traditional Name: N-[3-[(4-methyl-5-isoquinolyl)sulfonyl-(3-phenylpropyl)amino]propyl]carbamic acid tert-butyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O4S/c1-21-19-28-20-23-14-8-15-24(25(21)23)35(32,33)30(17-9-13-22-11-6-5-7-12-22)18-10-16-29-26(31)34-27(2,3)4/h5-8,11-12,14-15,19-20H,9-10,13,16-18H2,1-4H3,(H,29,31)