N-[1-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(1,4-diazepan-1-yl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCCNCC3

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCCNCC3

InChI

InChI=1S/C16H22N4O2S/c1-13(20-10-3-7-17-9-11-20)19-23(21,22)16-5-2-4-14-12-18-8-6-15(14)16/h2,4-6,8,12-13,17,19H,3,7,9-11H2,1H3