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

Systemtic Name: 5-[(3-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(3-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(3-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(3-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(3-ethyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCC1CN(CCCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H21N3O2S/c1-2-14-12-19(10-4-8-18-14)22(20,21)16-6-3-5-13-11-17-9-7-15(13)16/h3,5-7,9,11,14,18H,2,4,8,10,12H2,1H3