2-azanyl-1-[4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-amino-1-[4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-amino-1-[4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-amino-1-[4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-amino-1-[4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=O)CN

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCN(CC3)C(=O)CN

InChI

InChI=1S/C17H22N4O3S/c1-13-11-19-12-14-4-2-5-15(17(13)14)25(23,24)21-7-3-6-20(8-9-21)16(22)10-18/h2,4-5,11-12H,3,6-10,18H2,1H3