5-[[3-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline

Systemtic Name: 5-[[3-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline Openeye Name: 5-[(3-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[[3-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoquinoline IUPAC Name: 5-[(3-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(3-benzyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CNC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC4=CC=CC=C4

InChI

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