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

Systemtic Name: 5-[[6-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline Openeye Name: 5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[[6-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline IUPAC Name: 5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CN1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CC(CN1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O2S/c25-27(26,21-8-4-7-19-15-22-10-9-20(19)21)24-12-11-23-14-18(16-24)13-17-5-2-1-3-6-17/h1-10,15,18,23H,11-14,16H2