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

Systemtic Name: (2R)-2-azanyl-1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]propan-1-one CAS Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: (2R)-2-amino-1-[(3S)-4-(4-fluoroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]propan-1-one Formula: C18H23FN4O3S MolecularWeight: 394.463623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)C(C)N

Isomeric SMILES

C[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)[C@@H](C)N

InChI

InChI=1S/C18H23FN4O3S/c1-12-11-22(18(24)13(2)20)7-4-8-23(12)27(25,26)16-6-3-5-14-9-21-10-15(19)17(14)16/h3,5-6,9-10,12-13H,4,7-8,11,20H2,1-2H3/t12-,13+/m0/s1