5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethyl-isoquinolin-1-one

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethyl-isoquinolin-1-one Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethyl-isoquinolin-1-one CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethyl-1-isoquinolinone IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethylisoquinolin-1-one Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethyl-isocarbostyril Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)C

Isomeric SMILES

CC1=CN(C(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3)C

InChI

InChI=1S/C16H21N3O3S/c1-12-11-18(2)16(20)13-5-3-6-14(15(12)13)23(21,22)19-9-4-7-17-8-10-19/h3,5-6,11,17H,4,7-10H2,1-2H3