5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H23N3O2S/c1-2-4-14-11-19-9-10-20(13-14)23(21,22)17-6-3-5-15-12-18-8-7-16(15)17/h3,5-8,12,14,19H,2,4,9-11,13H2,1H3