(1-azanylcyclopropyl)-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-azanylcyclopropyl)-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]methanone Openeye Name: (1-aminocyclopropyl)-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]methanone CAS Name: (1-aminocyclopropyl)-[(3S)-4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]methanone IUPAC Name: (1-aminocyclopropyl)-[(3S)-4-(4-fluoroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]methanone Traditional Name: (1-aminocyclopropyl)-[(3S)-4-[(4-fluoro-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]methanone Formula: C19H23FN4O3S MolecularWeight: 406.474323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)C4(CC4)N

Isomeric SMILES

C[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)C4(CC4)N

InChI

InChI=1S/C19H23FN4O3S/c1-13-12-23(18(25)19(21)6-7-19)8-3-9-24(13)28(26,27)16-5-2-4-14-10-22-11-15(20)17(14)16/h2,4-5,10-11,13H,3,6-9,12,21H2,1H3/t13-/m0/s1