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

Systemtic Name: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(3-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-12-11-18(9-3-7-17-12)21(19,20)15-5-2-4-13-10-16-8-6-14(13)15/h2,4-6,8,10,12,17H,3,7,9,11H2,1H3