2-azanyl-1-[(3S)-4-(4-bromanylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[(3S)-4-(4-bromanylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-amino-1-[(3S)-4-[(4-bromo-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]ethanone CAS Name: 2-amino-1-[(3S)-4-[(4-bromo-5-isoquinolinyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-amino-1-[(3S)-4-(4-bromoisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-amino-1-[(3S)-4-[(4-bromo-5-isoquinolyl)sulfonyl]-3-methyl-1,4-diazepan-1-yl]ethanone Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O3S/c1-12-11-21(16(23)8-19)6-3-7-22(12)26(24,25)15-5-2-4-13-9-20-10-14(18)17(13)15/h2,4-5,9-10,12H,3,6-8,11,19H2,1H3/t12-/m0/s1