5-(1,4-diazepan-1-ylsulfonyl)-8-methyl-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-methyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-methyl-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-methylisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-methylisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-methyl-isoquinoline Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NC=CC2=C(C=C1)S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC1=C2C=NC=CC2=C(C=C1)S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C15H19N3O2S/c1-12-3-4-15(13-5-7-17-11-14(12)13)21(19,20)18-9-2-6-16-8-10-18/h3-5,7,11,16H,2,6,8-10H2,1H3