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

Systemtic Name: (2R)-2-azanyl-1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: (2R)-2-amino-1-[(3S)-4-(4-fluoroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: (2R)-2-amino-1-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C20H27FN4O3S MolecularWeight: 422.516783

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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(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN4O3S/c1-13(2)19(22)20(26)24-8-5-9-25(14(3)12-24)29(27,28)17-7-4-6-15-10-23-11-16(21)18(15)17/h4,6-7,10-11,13-14,19H,5,8-9,12,22H2,1-3H3/t14-,19+/m0/s1