5-(1,4-diazepan-1-ylsulfonyl)-1-propan-2-yloxy-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-propan-2-yloxy-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-isopropoxy-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-propan-2-yloxyisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-propan-2-yloxyisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-isopropoxy-isoquinoline Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC(C)OC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C17H23N3O3S/c1-13(2)23-17-15-5-3-6-16(14(15)7-9-19-17)24(21,22)20-11-4-8-18-10-12-20/h3,5-7,9,13,18H,4,8,10-12H2,1-2H3