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

Systemtic Name: 5-[(6-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(6-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CN1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CC(CN1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N3O2S/c24-26(25,20-8-4-7-17-13-21-10-9-19(17)20)23-12-11-22-14-18(15-23)16-5-2-1-3-6-16/h1-10,13,18,22H,11-12,14-15H2