5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynylisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynylisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC#CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C17H19N3O2S/c1-2-5-14-12-19-13-15-6-3-7-16(17(14)15)23(21,22)20-10-4-8-18-9-11-20/h3,6-7,12-13,18H,4,8-11H2,1H3