tert-butyl N-[3-azanyl-3-(1-azanylisoquinolin-5-yl)sulfonyl-propyl]carbamate

Systemtic Name: tert-butyl N-[3-azanyl-3-(1-azanylisoquinolin-5-yl)sulfonyl-propyl]carbamate Openeye Name: tert-butyl N-[3-amino-3-[(1-amino-5-isoquinolyl)sulfonyl]propyl]carbamate CAS Name: N-[3-amino-3-[(1-amino-5-isoquinolinyl)sulfonyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-amino-3-(1-aminoisoquinolin-5-yl)sulfonylpropyl]carbamate Traditional Name: N-[3-amino-3-[(1-amino-5-isoquinolyl)sulfonyl]propyl]carbamic acid tert-butyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2N

InChI

InChI=1S/C17H24N4O4S/c1-17(2,3)25-16(22)21-10-8-14(18)26(23,24)13-6-4-5-12-11(13)7-9-20-15(12)19/h4-7,9,14H,8,10,18H2,1-3H3,(H2,19,20)(H,21,22)