(2R)-2-azanyl-1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]hexan-1-one

Systemtic Name: (2R)-2-azanyl-1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]hexan-1-one Openeye Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]hexan-1-one CAS Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: (2R)-2-amino-1-[(3S)-4-(4-fluoroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]hexan-1-one Traditional Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]hexan-1-one Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCCN(C(C1)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)N

Isomeric SMILES

CCCC[C@H](C(=O)N1CCCN([C@H](C1)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)N

InChI

InChI=1S/C21H29FN4O3S/c1-3-4-8-18(23)21(27)25-10-6-11-26(15(2)14-25)30(28,29)19-9-5-7-16-12-24-13-17(22)20(16)19/h5,7,9,12-13,15,18H,3-4,6,8,10-11,14,23H2,1-2H3/t15-,18+/m0/s1