tert-butyl N-[2-[(4-methylisoquinolin-5-yl)sulfonylamino]propyl]-N-(3-oxidanylpropyl)carbamate

Systemtic Name: tert-butyl N-[2-[(4-methylisoquinolin-5-yl)sulfonylamino]propyl]-N-(3-oxidanylpropyl)carbamate Openeye Name: tert-butyl N-(3-hydroxypropyl)-N-[2-[(4-methyl-5-isoquinolyl)sulfonylamino]propyl]carbamate CAS Name: N-(3-hydroxypropyl)-N-[2-[(4-methyl-5-isoquinolinyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-hydroxypropyl)-N-[2-[(4-methylisoquinolin-5-yl)sulfonylamino]propyl]carbamate Traditional Name: N-(3-hydroxypropyl)-N-[2-[(4-methyl-5-isoquinolyl)sulfonylamino]propyl]carbamic acid tert-butyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)NC(C)CN(CCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)NC(C)CN(CCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5S/c1-15-12-22-13-17-8-6-9-18(19(15)17)30(27,28)23-16(2)14-24(10-7-11-25)20(26)29-21(3,4)5/h6,8-9,12-13,16,23,25H,7,10-11,14H2,1-5H3