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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O3S/c1-14(2)10-18(23)21(27)25-8-5-9-26(15(3)13-25)30(28,29)19-7-4-6-16-11-24-12-17(22)20(16)19/h4,6-7,11-12,14-15,18H,5,8-10,13,23H2,1-3H3/t15-,18+/m0/s1