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

Systemtic Name: (2R)-2-azanyl-1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]butan-1-one CAS Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: (2R)-2-amino-1-[(3S)-4-(4-fluoroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]butan-1-one Formula: C19H25FN4O3S MolecularWeight: 408.490203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN4O3S/c1-3-16(21)19(25)23-8-5-9-24(13(2)12-23)28(26,27)17-7-4-6-14-10-22-11-15(20)18(14)17/h4,6-7,10-11,13,16H,3,5,8-9,12,21H2,1-2H3/t13-,16+/m0/s1