5-[[3-(2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline

Systemtic Name: 5-[[3-(2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline Openeye Name: 5-[(3-isobutyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[[3-(2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline IUPAC Name: 5-[[3-(2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline Traditional Name: 5-[(3-isobutyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H25N3O2S/c1-14(2)11-16-13-21(10-4-8-20-16)24(22,23)18-6-3-5-15-12-19-9-7-17(15)18/h3,5-7,9,12,14,16,20H,4,8,10-11,13H2,1-2H3