1-(1,4-diazepan-1-yl)-7-(phenylsulfonyl)isoquinoline

Systemtic Name: 1-(1,4-diazepan-1-yl)-7-(phenylsulfonyl)isoquinoline Openeye Name: 7-(benzenesulfonyl)-1-(1,4-diazepan-1-yl)isoquinoline CAS Name: 7-(benzenesulfonyl)-1-(1,4-diazepan-1-yl)isoquinoline IUPAC Name: 7-(benzenesulfonyl)-1-(1,4-diazepan-1-yl)isoquinoline Traditional Name: 7-besyl-1-(1,4-diazepan-1-yl)isoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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