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

Systemtic Name: 5-[(3-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(3-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(3-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(3-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(3-propyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

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