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

Systemtic Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 4-methyl-5-[(5-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C

Isomeric SMILES

CC1CCN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C

InChI

InChI=1S/C16H21N3O2S/c1-12-10-17-11-14-4-3-5-15(16(12)14)22(20,21)19-8-6-13(2)18-7-9-19/h3-5,10-11,13,18H,6-9H2,1-2H3